CID 75990

Chlorocarbonylsulfenyl chloride

Structural Information

Molecular Formula

SMILES

C(=O)(SCl)Cl

InChI

InChI=1S/CCl2OS/c2-1(4)5-3

InChIKey

MNOALXGAYUJNKX-UHFFFAOYSA-N

Compound name

S-chloro chloromethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1051
Patents: 129.9047 Da
Monoisotopic Mass: 2.1
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]+	130.91198	119.0
[M+Na]+	152.89392	131.3
[M+NH4]+	147.93852	128.7
[M+K]+	168.86786	123.3
[M-H]-	128.89742	119.0
[M+Na-2H]-	150.87937	123.5
[M]+	129.90415	121.7
[M]-	129.90525	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe