CID 303533

1-chloro-2-methanesulfonylethane

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

295
Patents

141.98553 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe