Dichloroacetyl chloride(79-36-7) MS
Product NameDichloroacetyl chloride
CAS79-36-7
Molecular FormulaC2HCl3O
Molecular Weight147.39
InChIInChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H
InChIKey FBCCMZVIWNDFMO-UHFFFAOYSA-N
SmilesC(Cl)(C(Cl)Cl)=O
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MassMS-NW-2935 dichloroacetyl chloride C2HCl3O (Mass of molecular ion: 146)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.2 13.0 3.5 28.0 1.8 35.0 5.8 36.0 3.1 37.0 1.8 38.0 1.0 41.0 3.1 47.0 8.4 48.0 12.9 49.0 3.6 50.0 4.4 63.0 43.7 65.0 14.3 76.0 13.3 77.0 1.9 78.0 4.5 82.0 1.8 83.0 100.0 84.0 2.5 85.0 61.7 87.0 10.2 111.0 10.1 113.0 6.2 115.0 1.0 146.0 1.7 148.0 1.7
parameter in CDCl3
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1H NMR 300 MHz C2 H Cl3 O 0.05 ml : 0.5 ml CDCl3 dichloroacetyl chloride 
Parameter ppm Hz
D(A) 6.133
Hz ppm Int.1839.90 6.133 1000
in CDCl3
liquid film
