CID 55280158

3-chloroprop-2-ene-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H4Cl2O2S
SMILES
C(/C=C/Cl)S(=O)(=O)Cl
InChI
InChI=1S/C3H4Cl2O2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1+
InChIKey
OZTXHUAINKWGIO-OWOJBTEDSA-N
Compound name
(E)-3-chloroprop-2-ene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.93091 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.93819 127.0
[M+Na]+ 196.92013 137.4
[M-H]- 172.92363 127.9
[M+NH4]+ 191.96473 149.1
[M+K]+ 212.89407 132.9
[M+H-H2O]+ 156.92817 125.2
[M+HCOO]- 218.92911 136.3
[M+CH3COO]- 232.94476 171.8
[M+Na-2H]- 194.90558 131.5
[M]+ 173.93036 131.6
[M]- 173.93146 131.6
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

No patent data available for this compound.