1,3-Dichloro-2-fluorobenzene(2268-05-5) MS

Product Name1,3-Dichloro-2-fluorobenzene

CAS 2268-05-5

Molecular FormulaC6H3Cl2F

Molecular Weight164.99

InChIInChI=1S/C6H3Cl2F/c7-4-2-1-3-5(8)6(4)9/h1-3H

InChIKey JORVCRLRRRRLFI-UHFFFAOYSA-N

SmilesC1(Cl)=CC=CC(Cl)=C1F

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Mass

MS-IW-9271          
1,3-dichloro-2-fluorobenzene
C6H3Cl2F            (Mass of molecular ion:    164)

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

      31.0       1.5
      37.0       1.7
      49.0       1.0
      50.0       3.1
      61.0       2.1
      62.0       1.7
      63.0       1.9
      64.0       4.6
      65.0       1.4
      68.0       5.0
      69.0       1.4
      73.0       2.1
      74.0       5.2
      75.0       1.7
      82.0       6.2
      83.0       4.1
      84.0       2.2
      92.0       2.4
      93.0       9.0
      94.0       5.3
     103.0       1.1
     104.0       1.1
     109.0       6.6
     111.0       2.1
     128.0       4.8
     129.0      34.7
     130.0       3.9
     131.0      11.2
     164.0     100.0
     165.0       6.9
     166.0      63.7
     167.0       4.3
     168.0      10.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Cl₂ F	0.040 g : 0.5 ml CDCl₃
1,3-dichloro-2-fluorobenzene

    Assign.     Shift(ppm)

      A             7.303
      B             7.028

     Hz     ppm     Int.

   2926.51   7.323    808
   2919.92   7.307    846
   2918.33   7.303   1000
   2911.87   7.287    952
   2905.15   7.270     25
   2817.26   7.050    318
   2815.67   7.046    313
   2809.45   7.030    388
   2808.84   7.029    347
   2807.74   7.026    400
   2801.03   7.009    244
   2799.44   7.005    236

in CDCl3