CID 548463

Methanesulfinyl chloride

Structural Information

Molecular Formula

SMILES

CS(=O)Cl

InChI

InChI=1S/CH3ClOS/c1-4(2)3/h1H3

InChIKey

LURSUHVHQZXABT-UHFFFAOYSA-N

Compound name

methanesulfinyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 437
Patents: 97.95931 Da
Monoisotopic Mass: 0.4
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]+	98.966586	109.3
[M+Na]+	120.94853	119.3
[M-H]-	96.952034	110.8
[M+NH4]+	115.99313	134.1
[M+K]+	136.92247	117.7
[M+H-H2O]+	80.956570	106.8
[M+HCOO]-	142.95751	124.1
[M+CH3COO]-	156.97316	162.0
[M+Na-2H]-	118.93398	113.8
[M]+	97.958761	112.5
[M]-	97.959859	112.5

Literature stripe

literature stripe

Patent stripe

patents stripe