CID 101258

Methane, dichloro(methylsulfonyl)-

Structural Information

Molecular Formula

C₂H₄Cl₂O₂S

SMILES

CS(=O)(=O)C(Cl)Cl

InChI

InChI=1S/C2H4Cl2O2S/c1-7(5,6)2(3)4/h2H,1H3

InChIKey

QMMFBGBMARGVFC-UHFFFAOYSA-N

Compound name

dichloro(methylsulfonyl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
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]+	162.938186	122.1
[M+Na]+	184.920128	132.3
[M-H]-	160.923634	123.3
[M+NH4]+	179.964733	144.6
[M+K]+	200.894068	129.1
[M+H-H2O]+	144.928170	120.6
[M+HCOO]-	206.929111	130.6
[M+CH3COO]-	220.944761	171.3
[M+Na-2H]-	182.905576	126.1
[M]+	161.93036142	126.6
[M]-	161.93145858	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe