CID 138595

Chloro(methyl)sulfanium

Structural Information

Molecular Formula

SMILES

CSCl

InChI

InChI=1S/CH3ClS/c1-3-2/h1H3

InChIKey

DDCYYCUMAFYDDU-UHFFFAOYSA-N

Compound name

methyl thiohypochlorite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1819
Patents: 81.9644 Da
Monoisotopic Mass: 1.3
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]+	82.971676	106.6
[M+Na]+	104.953618	116.6
[M-H]-	80.957124	108.0
[M+NH4]+	99.998223	132.2
[M+K]+	120.927558	114.9
[M+H-H2O]+	64.961660	104.1
[M+HCOO]-	126.962601	121.9
[M+CH3COO]-	140.978251	160.3
[M+Na-2H]-	102.939066	112.2
[M]+	81.96385142	109.6
[M]-	81.96494858	109.6

Literature stripe

literature stripe

Patent stripe

patents stripe