CID 534496

Prop-2-ene-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H5ClO2S
SMILES
C=CCS(=O)(=O)Cl
InChI
InChI=1S/C3H5ClO2S/c1-2-3-7(4,5)6/h2H,1,3H2
InChIKey
AAHFRWRQQDVWPX-UHFFFAOYSA-N
Compound name
prop-2-ene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3933
Patents

139.96988 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.97716 120.9
[M+Na]+ 162.95910 131.2
[M-H]- 138.96260 122.3
[M+NH4]+ 158.00370 144.1
[M+K]+ 178.93304 128.1
[M+H-H2O]+ 122.96714 118.3
[M+HCOO]- 184.96808 135.2
[M+CH3COO]- 198.98373 167.5
[M+Na-2H]- 160.94455 126.1
[M]+ 139.96933 125.0
[M]- 139.97043 125.0
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