CID 126697136

1261647-40-8

Structural Information

Molecular Formula

C₂H₃ClF₂O₂S

SMILES

CC(F)(F)S(=O)(=O)Cl

InChI

InChI=1S/C2H3ClF2O2S/c1-2(4,5)8(3,6)7/h1H3

InChIKey

PQKGKAOAVCKHON-UHFFFAOYSA-N

Compound name

1,1-difluoroethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 163.95103 Da
Monoisotopic Mass: 1.5
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]+	164.95831	120.9
[M+Na]+	186.94025	131.5
[M-H]-	162.94375	119.8
[M+NH4]+	181.98485	142.9
[M+K]+	202.91419	128.9
[M+H-H2O]+	146.94829	116.8
[M+HCOO]-	208.94923	131.7
[M+CH3COO]-	222.96488	171.3
[M+Na-2H]-	184.92570	126.4
[M]+	163.95048	122.4
[M]-	163.95158	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe