CID 12691698

Ethanesulfinyl chloride

Structural Information

Molecular Formula

SMILES

CCS(=O)Cl

InChI

InChI=1S/C2H5ClOS/c1-2-5(3)4/h2H2,1H3

InChIKey

CXAVWUXAKZJEBR-UHFFFAOYSA-N

Compound name

ethanesulfinyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 111.97496 Da
Monoisotopic Mass: 0.7
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]+	112.98224	113.9
[M+Na]+	134.96418	123.4
[M-H]-	110.96768	115.2
[M+NH4]+	130.00878	138.2
[M+K]+	150.93812	121.6
[M+H-H2O]+	94.972220	111.2
[M+HCOO]-	156.97316	128.4
[M+CH3COO]-	170.98881	165.0
[M+Na-2H]-	132.94963	117.9
[M]+	111.97441	117.5
[M]-	111.97551	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe