4-氟-2-硝基苯胺(364-78-3)質(zhì)譜(MS)

產(chǎn)品名稱:4-氟-2-硝基苯胺

CAS:364-78-3

分子式:C6H5FN2O2

分子量: 156.11

InChI:InChI=1S/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2

InChIKey: PUGDHSSOXPHLPT-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(F)C=C1[N+]([O-])=O

Mass

MS-IW-9728          
4-fluoro-2-nitroaniline
C6H5FN2O2           (Mass of molecular ion:    156)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       5.2
      30.0       2.7
      31.0       3.4
      33.0       1.6
      37.0       1.2
      38.0       1.9
      39.0       3.6
      50.0       1.6
      51.0       3.3
      52.0       5.4
      56.0       2.5
      57.0      14.5
      59.0       1.0
      61.0       1.5
      62.0       2.8
      63.0      10.6
      64.0       2.5
      65.0       1.9
      70.0       2.8
      71.0       1.9
      76.0       2.3
      78.0       1.4
      81.0       6.1
      82.0      11.4
      83.0      57.7
      84.0       7.8
      89.0       1.5
      90.0      12.7
      91.0       1.3
      95.0       2.8
      96.0       2.1
      97.0       1.2
      98.0       6.6
     108.0       3.1
     109.0       6.7
     110.0      61.8
     111.0       4.5
     122.0       1.0
     126.0       5.2
     138.0       1.0
     139.0       3.1
     140.0       1.5
     156.0     100.0
     157.0       8.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₅ F N₂ O₂	0.040 g : 0.5 ml CDCl₃
4-fluoro-2-nitroaniline

    Assign.     Shift(ppm)

      A             7.810
      B             7.185
      C             6.835
      D             6.06

     Hz     ppm     Int.

   3127.44   7.826    946
   3124.51   7.819    975
   3118.41   7.803    974
   3115.48   7.796    949
   2881.35   7.210    520
   2878.42   7.203    549
   2874.15   7.192    678
   2871.83   7.186    900
   2869.38   7.180    705
   2865.11   7.170    620
   2862.06   7.162    562
   2738.40   6.852    950
   2733.76   6.841   1000
   2729.25   6.830    901
   2724.61   6.818    834
   2422.24   6.061    748

in CDCl3