CID 77642

Chlorosulfonylacetyl chloride

Structural Information

Molecular Formula

C₂H₂Cl₂O₃S

SMILES

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

InChI

InChI=1S/C2H2Cl2O3S/c3-2(5)1-8(4,6)7/h1H2

InChIKey

MCFSNYMQISXQTF-UHFFFAOYSA-N

Compound name

2-chlorosulfonylacetyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 499
Patents: 175.91017 Da
Monoisotopic Mass: 1.0
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]+	176.91745	131.1
[M+Na]+	198.89939	142.0
[M+NH4]+	193.94399	138.7
[M+K]+	214.87333	135.7
[M-H]-	174.90289	128.8
[M+Na-2H]-	196.88484	133.9
[M]+	175.90962	132.8
[M]-	175.91072	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe