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: 45
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	133.8
[M+Na]+	252.84219	142.5
[M-H]-	228.84569	132.8
[M+NH4]+	247.88679	152.6
[M+K]+	268.81613	138.5
[M+H-H2O]+	212.85023	133.8
[M+HCOO]-	274.85117	130.8
[M+CH3COO]-	288.86682	184.5
[M+Na-2H]-	250.82764	134.6
[M]+	229.85242	136.1
[M]-	229.85352	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe