CID 82408

2-propanesulfonyl chloride

Structural Information

Molecular Formula
C3H7ClO2S
SMILES
CC(C)S(=O)(=O)Cl
InChI
InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3
InChIKey
DRINJBFRTLBHNF-UHFFFAOYSA-N
Compound name
propane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6818
Patents

141.98553 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.99281 121.3
[M+Na]+ 164.97475 131.0
[M-H]- 140.97825 122.8
[M+NH4]+ 160.01935 144.4
[M+K]+ 180.94869 129.0
[M+H-H2O]+ 124.98279 118.7
[M+HCOO]- 186.98373 134.4
[M+CH3COO]- 200.99938 169.3
[M+Na-2H]- 162.96020 125.5
[M]+ 141.98498 125.6
[M]- 141.98608 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe