4-氟-3-三氟甲基苯胺(2357-47-3)質(zhì)譜(MS)
InChI:InChI=1S/C7H5F4N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
InChIKey: PGFQDLOMDIBAPY-UHFFFAOYSA-N
Smiles:C1(N)=CC=C(F)C(C(F)(F)F)=C1
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Mass
MS-NW-6053
4-fluoro-3-(trifluoromethyl)aniline
C7H5F4N (Mass of molecular ion: 179)
Source Temperature: 250 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
28.0 3.4
31.0 2.5
38.0 1.1
39.0 1.3
41.0 1.6
50.0 1.1
51.0 1.3
52.0 2.1
56.0 1.9
57.0 4.8
61.0 1.4
62.0 2.0
63.0 4.6
64.0 1.1
64.5 1.1
65.0 1.0
69.0 2.7
75.0 2.8
79.5 1.0
80.0 2.6
81.0 4.5
82.0 2.7
83.0 10.0
84.0 1.2
88.0 1.5
89.0 1.0
89.5 2.9
90.0 1.7
93.0 1.0
94.0 1.0
101.0 6.3
102.0 2.0
108.0 1.4
109.0 3.6
110.0 1.7
113.0 2.4
120.0 1.2
129.0 12.9
130.0 1.1
131.0 1.4
132.0 27.2
133.0 3.4
138.0 1.4
139.0 1.2
140.0 3.2
143.0 1.0
151.0 5.2
152.0 2.1
158.0 5.9
159.0 3.8
160.0 24.8
161.0 2.3
163.0 2.3
178.0 6.1
179.0 100.0
180.0 8.4
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H5 F4 N
|
0.05 ml : 0.5 ml CDCl3
|
| 4-fluoro-3-(trifluoromethyl)aniline
|
 |
Assign. Shift(ppm)
A 6.93
B 6.80
C 6.73
D 3.65
|
Hz ppm Int.
631.56 7.052 117
623.00 6.957 311
612.56 6.840 491
610.06 6.812 367
609.56 6.807 380
606.44 6.772 489
605.75 6.764 481
602.25 6.725 163
601.63 6.718 164
598.69 6.685 111
598.06 6.678 118
597.31 6.670 122
594.44 6.638 74
327.19 3.654 1000
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| 1H NMR |
399.65 MHz |
| C7 H5 F4 N
|
0.05 ml : 0.5 ml CDCl3
|
| 4-fluoro-3-(trifluoromethyl)aniline
|
|
Assign. Shift(ppm)
A 6.941
B 6.818
C 6.742
D 3.72
90MHZ : HSP-05-161
|
Hz ppm Int.
2783.69 6.966 601
2774.41 6.943 1000
2769.17 6.929 89
2764.77 6.918 720
2740.36 6.857 31
2729.13 6.829 747
2726.20 6.822 894
2723.39 6.815 769
2720.46 6.808 860
2713.62 6.790 40
2713.13 6.789 40
2710.21 6.782 39
2709.96 6.781 39
2709.47 6.780 39
2709.23 6.780 39
2702.03 6.761 467
2701.42 6.760 524
2698.00 6.751 717
2697.39 6.750 670
2695.07 6.744 449
2694.46 6.743 481
2693.85 6.741 430
2693.24 6.739 485
2692.63 6.738 475
2689.21 6.729 584
2688.60 6.728 543
2687.01 6.724 227
2686.28 6.722 333
2685.67 6.721 351
1486.82 3.721 632