CID 178244149

4-(1-hydroxyethenyl)benzenesulfonyl chloride

Structural Information

Molecular Formula
C8H7ClO3S
SMILES
C=C(C1=CC=C(C=C1)S(=O)(=O)Cl)O
InChI
InChI=1S/C8H7ClO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5,10H,1H2
InChIKey
DAAZVAVCXDNABH-UHFFFAOYSA-N
Compound name
4-(1-hydroxyethenyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.98044 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.987716 139.3
[M+Na]+ 240.969658 149.0
[M-H]- 216.973164 142.5
[M+NH4]+ 236.014263 158.6
[M+K]+ 256.943598 144.2
[M+H-H2O]+ 200.977700 135.6
[M+HCOO]- 262.978641 151.6
[M+CH3COO]- 276.994291 179.2
[M+Na-2H]- 238.955106 143.0
[M]+ 217.97989142 142.5
[M]- 217.98098858 142.5
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.