CID 522107

Bis(2-chloroethylthio)methane

Structural Information

Molecular Formula

C₅H₁₀Cl₂S₂

SMILES

C(CCl)SCSCCCl

InChI

InChI=1S/C5H10Cl2S2/c6-1-3-8-5-9-4-2-7/h1-5H2

InChIKey

RKTJTTAEKCRXNL-UHFFFAOYSA-N

Compound name

1-chloro-2-(2-chloroethylsulfanylmethylsulfanyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 575
Patents: 203.9601 Da
Monoisotopic Mass: 2.8
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]+	204.96738	134.1
[M+Na]+	226.94932	142.1
[M-H]-	202.95282	134.2
[M+NH4]+	221.99392	155.1
[M+K]+	242.92326	136.8
[M+H-H2O]+	186.95736	131.5
[M+HCOO]-	248.95830	137.4
[M+CH3COO]-	262.97395	182.0
[M+Na-2H]-	224.93477	134.4
[M]+	203.95955	139.5
[M]-	203.96065	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe