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Back ChemicalBook Home>CAS DataBase List>456-19-9More Spectrum> 4-FLUOROBENZAL CHLORIDE(456-19-9) MS

4-FLUOROBENZAL CHLORIDE(456-19-9) MS

Molecular FormulaC7H5Cl2F

Molecular Weight179.02

InChIInChI=1S/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H

InChIKey MFIOEEWGBMJNGG-UHFFFAOYSA-N

SmilesC1(C(Cl)Cl)=CC=C(F)C=C1


  • Mass

    MS-IW-4188          
    p-(dichloromethyl)fluorobenzene
    C7H5Cl2F            (Mass of molecular ion:    178)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          50.0       1.1
          53.5       1.2
          57.0       3.6
          61.0       1.5
          62.0       1.6
          63.0       1.4
          71.0       1.0
          71.5       2.5
          79.0       1.0
          81.0       2.4
          83.0       2.8
          95.0       1.2
         107.0      12.9
         108.0       5.1
         109.0       1.1
         117.0       2.8
         123.0       1.8
         143.0     100.0
         144.0       8.0
         145.0      32.3
         146.0       2.5
         177.0       1.3
         178.0       6.8
         179.0       1.4
         180.0       4.4
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H5 Cl2 F 0.05 ml : 0.5 ml CDCl3
    p-(dichloromethyl)fluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.537 B 7.052 C 6.678

         Hz     ppm     Int.
    

       3021.39   7.561     61
       3018.34   7.553    473
       3016.05   7.547    196
       3013.31   7.540    470
       3011.17   7.535    264
       3009.34   7.530    532
       3006.44   7.523    213
       3004.30   7.518    505
       3001.25   7.510     71
       2829.90   7.081     73
       2826.84   7.074    553
       2824.55   7.068    173
       2821.50   7.060     94
       2820.13   7.057    219
       2818.30   7.052    806
       2816.31   7.047    211
       2814.79   7.044     89
       2811.74   7.036    180
       2809.45   7.030    504
       2806.40   7.023     70
       2668.91   6.679   1000
    

in CDCl3



liquid film



4-FLUOROBENZAL CHLORIDE(456-19-9) MS Atlas of Related Products

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