CID 3015919

Bis(chloromethyl) sulfone

Structural Information

Molecular Formula

C₂H₄Cl₂O₂S

SMILES

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

InChI

InChI=1S/C2H4Cl2O2S/c3-1-7(5,6)2-4/h1-2H2

InChIKey

SQOGKEMZXNYTNN-UHFFFAOYSA-N

Compound name

chloro(chloromethylsulfonyl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 161.93091 Da
Monoisotopic Mass: 1.0
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]+	162.93819	128.9
[M+Na]+	184.92013	140.5
[M+NH4]+	179.96473	137.4
[M+K]+	200.89407	133.0
[M-H]-	160.92363	127.5
[M+Na-2H]-	182.90558	132.5
[M]+	161.93036	131.1
[M]-	161.93146	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe