2-溴-4-氟甲苯(1422-53-3)質(zhì)譜(MS)

產(chǎn)品名稱:2-溴-4-氟甲苯

CAS:1422-53-3

分子式:C7H6BrF

分子量: 189.02

InChI:InChI=1S/C7H6BrF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3

InChIKey: SFGFOJPGCOYQJK-UHFFFAOYSA-N

Smiles:C1(C)=CC=C(F)C=C1Br

Mass

MS-IW-9326          
2-bromo-4-fluorotoluene
C7H6BrF             (Mass of molecular ion:    188)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       3.0
      37.0       1.3
      38.0       1.9
      39.0       4.8
      43.0       1.6
      44.0       8.3
      50.0       4.5
      51.0       3.4
      54.0       2.8
      56.0       1.3
      57.0      10.3
      59.0       1.9
      61.0       2.5
      62.0       4.6
      63.0       7.2
      68.0       1.0
      74.0       1.7
      75.0       1.2
      80.0       1.7
      81.0       6.3
      82.0       2.4
      83.0      18.5
      84.0       3.5
      85.0       3.1
      86.0       1.3
      87.0       1.2
      89.0       3.0
      94.0       2.5
      95.0       2.0
     107.0      19.9
     108.0      22.6
     109.0     100.0
     110.0       7.8
     187.0       9.4
     188.0      48.8
     189.0      12.8
     190.0      47.2
     191.0       3.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Br F	0.05 ml : 0.5 ml CDCl₃
2-bromo-4-fluorotoluene

    Assign.     Shift(ppm)

      A             7.236
      B             7.131
      C             6.886
      D             2.319

     Hz     ppm     Int.

   2897.22   7.250    204
   2894.65   7.243    203
   2888.92   7.229    202
   2886.35   7.223    200
   2857.42   7.150    137
   2851.32   7.135    149
   2848.88   7.129    164
   2842.90   7.114    157
   2761.47   6.910    122
   2758.79   6.904    115
   2753.17   6.889    202
   2750.61   6.883    190
   2744.87   6.869    102
   2742.19   6.862     96
    926.76   2.319   1000

in CDCl3