CID 10109

Bis(2-chloroethyl) sulfone

Structural Information

Molecular Formula

C₄H₈Cl₂O₂S

SMILES

C(CCl)S(=O)(=O)CCCl

InChI

InChI=1S/C4H8Cl2O2S/c5-1-3-9(7,8)4-2-6/h1-4H2

InChIKey

LUYAMNYBNTVQJG-UHFFFAOYSA-N

Compound name

1-chloro-2-(2-chloroethylsulfonyl)ethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1280
Patents: 189.9622 Da
Monoisotopic Mass: 0.8
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]+	190.96948	137.4
[M+Na]+	212.95142	148.7
[M+NH4]+	207.99602	145.6
[M+K]+	228.92536	140.7
[M-H]-	188.95492	136.0
[M+Na-2H]-	210.93687	140.6
[M]+	189.96165	139.5
[M]-	189.96275	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe