CID 5325501

Chloro[(chlorocarbonyl)disulfanyl]methanone

Structural Information

Molecular Formula

C₂Cl₂O₂S₂

SMILES

C(=O)(SSC(=O)Cl)Cl

InChI

InChI=1S/C2Cl2O2S2/c3-1(5)7-8-2(4)6

InChIKey

FIPMEXDXARPDRK-UHFFFAOYSA-N

Compound name

S-carbonochloridoylsulfanyl chloromethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 189.87167 Da
Monoisotopic Mass: 2.6
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]+	190.87895	135.8
[M+Na]+	212.86089	146.1
[M+NH4]+	207.90549	144.3
[M+K]+	228.83483	137.3
[M-H]-	188.86439	134.8
[M+Na-2H]-	210.84634	137.7
[M]+	189.87112	138.2
[M]-	189.87222	138.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.