CID 6365998

Vinyl p-chlorobenzenesulphonate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.98044 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.987716 139.7
[M+Na]+ 240.969658 150.2
[M-H]- 216.973164 144.3
[M+NH4]+ 236.014263 159.8
[M+K]+ 256.943598 145.9
[M+H-H2O]+ 200.977700 135.5
[M+HCOO]- 262.978641 154.5
[M+CH3COO]- 276.994291 181.0
[M+Na-2H]- 238.955106 144.8
[M]+ 217.97989142 145.4
[M]- 217.98098858 145.4
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.