CID 94964

Disulfide, bis(2-chloroethyl)

Structural Information

Molecular Formula

C₄H₈Cl₂S₂

SMILES

C(CCl)SSCCCl

InChI

InChI=1S/C4H8Cl2S2/c5-1-3-7-8-4-2-6/h1-4H2

InChIKey

XDFZUXHZXUFQOS-UHFFFAOYSA-N

Compound name

1-chloro-2-(2-chloroethyldisulfanyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 189.94444 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]+	190.95172	129.9
[M+Na]+	212.93366	138.3
[M-H]-	188.93716	130.2
[M+NH4]+	207.97826	151.4
[M+K]+	228.90760	133.2
[M+H-H2O]+	172.94170	127.5
[M+HCOO]-	234.94264	133.5
[M+CH3COO]-	248.95829	179.1
[M+Na-2H]-	210.91911	130.6
[M]+	189.94389	134.9
[M]-	189.94499	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe