CID 163511

Bis(dichloromethyl)sulfone

Structural Information

Molecular Formula

C₂H₂Cl₄O₂S

SMILES

C(S(=O)(=O)C(Cl)Cl)(Cl)Cl

InChI

InChI=1S/C2H2Cl4O2S/c3-1(4)9(7,8)2(5)6/h1-2H

InChIKey

KTIDLZJZARSLET-UHFFFAOYSA-N

Compound name

dichloro(dichloromethylsulfonyl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 229.85297 Da
Monoisotopic Mass: 2.5
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]+	230.86025	148.6
[M+Na]+	252.84219	159.3
[M+NH4]+	247.88679	156.0
[M+K]+	268.81613	152.2
[M-H]-	228.84569	146.1
[M+Na-2H]-	250.82764	150.8
[M]+	229.85242	150.7
[M]-	229.85352	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe