CID 303533

1-chloro-2-(methylsulfonyl)ethane

Structural Information

Molecular Formula

C₃H₇ClO₂S

SMILES

CS(=O)(=O)CCCl

InChI

InChI=1S/C3H7ClO2S/c1-7(5,6)3-2-4/h2-3H2,1H3

InChIKey

DKWNYTKOLIZNAX-UHFFFAOYSA-N

Compound name

1-chloro-2-methylsulfonylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 234
Patents: 141.98553 Da
Monoisotopic Mass: 0.2
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]+	142.99281	126.2
[M+Na]+	164.97475	137.2
[M+NH4]+	160.01935	134.7
[M+K]+	180.94869	130.1
[M-H]-	140.97825	125.0
[M+Na-2H]-	162.96020	129.7
[M]+	141.98498	128.1
[M]-	141.98608	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe