CID 12950503

1728-94-5

Structural Information

Molecular Formula

C₃H₇ClO₂S

SMILES

CCS(=O)(=O)CCl

InChI

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

InChIKey

QYCHOJSGDMANGO-UHFFFAOYSA-N

Compound name

1-(chloromethylsulfonyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 141.98553 Da
Monoisotopic Mass: 0.7
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	122.0
[M+Na]+	164.97475	131.9
[M-H]-	140.97825	123.3
[M+NH4]+	160.01935	145.1
[M+K]+	180.94869	129.5
[M+H-H2O]+	124.98279	119.3
[M+HCOO]-	186.98373	136.1
[M+CH3COO]-	200.99938	168.5
[M+Na-2H]-	162.96020	127.2
[M]+	141.98498	126.8
[M]-	141.98608	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe