CID 18446999

1,2-dichloroethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₂H₃Cl₃O₂S

SMILES

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

InChI

InChI=1S/C2H3Cl3O2S/c3-1-2(4)8(5,6)7/h2H,1H2

InChIKey

OHQUBRWYXSQPKU-UHFFFAOYSA-N

Compound name

1,2-dichloroethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 195.89194 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]+	196.89922	128.2
[M+Na]+	218.88116	138.1
[M-H]-	194.88466	128.5
[M+NH4]+	213.92576	149.2
[M+K]+	234.85510	133.9
[M+H-H2O]+	178.88920	127.5
[M+HCOO]-	240.89014	131.4
[M+CH3COO]-	254.90579	177.2
[M+Na-2H]-	216.86661	131.3
[M]+	195.89139	132.3
[M]-	195.89249	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe