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

4
Annotation Hits: 1
References: 529
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	123.9
[M+Na]+	198.89939	134.3
[M-H]-	174.90289	125.1
[M+NH4]+	193.94399	145.8
[M+K]+	214.87333	130.9
[M+H-H2O]+	158.90743	122.4
[M+HCOO]-	220.90837	132.9
[M+CH3COO]-	234.92402	172.3
[M+Na-2H]-	196.88484	128.2
[M]+	175.90962	129.2
[M]-	175.91072	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe