456-42-8

间氟氯苄(456-42-8)质谱(MS)

产品名称:间氟氯苄

CAS:456-42-8

分子式:C7H6ClF

分子量: 144.57

InChI:InChI=1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

InChIKey: XBDXMDVEZLOGMC-UHFFFAOYSA-N

Smiles:C1(CCl)=CC=CC(F)=C1

Mass

MS-NW-7779          
m-fluorobenzyl chloride
C7H6ClF             (Mass of molecular ion:    144)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       1.5
      38.0       1.4
      39.0       3.5
      44.0       3.0
      50.0       2.4
      51.0       1.8
      54.0       2.5
      54.5       1.0
      57.0       5.7
      59.0       1.5
      61.0       1.3
      62.0       2.9
      63.0       4.0
      75.0       1.0
      81.0       2.7
      82.0       1.0
      83.0      12.9
      89.0       1.7
     107.0       6.7
     108.0       2.7
     109.0     100.0
     110.0       7.9
     143.0       7.3
     144.0      25.8
     145.0       4.3
     146.0       8.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Cl F	0.05 ml : 0.5 ml CDCl₃
m-fluorobenzyl chloride

    Assign.     Shift(ppm)

      A             7.281
      B             7.123
      C             7.076
      D             6.982
      E             4.515

     Hz     ppm     Int.

   2921.39   7.310    101
   2915.53   7.296    111
   2913.45   7.291    174
   2907.59   7.276    174
   2905.52   7.271    139
   2899.66   7.256    132
   2850.59   7.133    190
   2850.10   7.132    194
   2842.53   7.113    163
   2835.94   7.097    110
   2833.62   7.091    144
   2831.91   7.086    103
   2826.54   7.073    109
   2824.22   7.067    143
   2822.51   7.063    107
   2801.15   7.010     84
   2800.29   7.007     86
   2798.58   7.003     77
   2797.73   7.001     75
   2792.72   6.988    137
   2791.75   6.986    143
   2790.16   6.982    127
   2789.18   6.980    125
   2784.18   6.967     71
   2783.45   6.965     73
   2781.62   6.961     65
   2780.88   6.959     62
   1804.57   4.516   1000

in CDCl3