CID 45622

Tl 960

Structural Information

Molecular Formula

C₅H₈Cl₂S₃

SMILES

C(CCl)SC(=S)SCCCl

InChI

InChI=1S/C5H8Cl2S3/c6-1-3-9-5(8)10-4-2-7/h1-4H2

InChIKey

GUTSJGCCGITDCZ-UHFFFAOYSA-N

Compound name

bis(2-chloroethylsulfanyl)methanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.91652 Da
Monoisotopic Mass: 3.4
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]+	234.92380	138.9
[M+Na]+	256.90574	146.3
[M-H]-	232.90924	138.7
[M+NH4]+	251.95034	158.1
[M+K]+	272.87968	139.1
[M+H-H2O]+	216.91378	136.3
[M+HCOO]-	278.91472	135.4
[M+CH3COO]-	292.93037	186.2
[M+Na-2H]-	254.89119	136.7
[M]+	233.91597	141.7
[M]-	233.91707	141.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.