CID 85730232

190380-34-8

Structural Information

Molecular Formula

C₂H₂Cl₂F₂O₂S

SMILES

C(C(F)(F)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C2H2Cl2F2O2S/c3-2(5,6)1-9(4,7)8/h1H2

InChIKey

VFUDXWIKAYBSRA-UHFFFAOYSA-N

Compound name

2-chloro-2,2-difluoroethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.91206 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.91934	125.8
[M+Na]+	220.90128	136.6
[M-H]-	196.90478	124.4
[M+NH4]+	215.94588	146.8
[M+K]+	236.87522	132.5
[M+H-H2O]+	180.90932	122.6
[M+HCOO]-	242.91026	131.8
[M+CH3COO]-	256.92591	176.2
[M+Na-2H]-	218.88673	130.8
[M]+	197.91151	128.1
[M]-	197.91261	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.