CID 564920

Phenyl ethenesulfonate

Structural Information

Molecular Formula
C8H8O3S
SMILES
C=CS(=O)(=O)OC1=CC=CC=C1
InChI
InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey
CILDJVVXNMDAGY-UHFFFAOYSA-N
Compound name
phenyl ethenesulfonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1032
Patents

184.01941 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.026686 134.9
[M+Na]+ 207.008628 144.0
[M-H]- 183.012134 139.1
[M+NH4]+ 202.053233 155.2
[M+K]+ 222.982568 141.4
[M+H-H2O]+ 167.016670 129.6
[M+HCOO]- 229.017611 154.3
[M+CH3COO]- 243.033261 176.0
[M+Na-2H]- 204.994076 141.0
[M]+ 184.01886142 138.3
[M]- 184.01995858 138.3
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