CID 75905

4-styrenesulfonic acid

Structural Information

Molecular Formula
C8H8O3S
SMILES
C=CC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C8H8O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H,9,10,11)
InChIKey
MAGFQRLKWCCTQJ-UHFFFAOYSA-N
Compound name
4-ethenylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

259
References

37221
Patents

184.01941 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02669 134.6
[M+Na]+ 207.00863 144.0
[M-H]- 183.01213 137.6
[M+NH4]+ 202.05323 154.4
[M+K]+ 222.98257 140.4
[M+H-H2O]+ 167.01667 129.7
[M+HCOO]- 229.01761 152.3
[M+CH3COO]- 243.03326 174.5
[M+Na-2H]- 204.99408 139.5
[M]+ 184.01886 136.5
[M]- 184.01996 136.5
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