CID 3042395

59687-32-0

Structural Information

Molecular Formula
C13H10O6S
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O
InChI
InChI=1S/C13H10O6S/c14-11-7-6-10(8-12(11)20(16,17)18)19-13(15)9-4-2-1-3-5-9/h1-8,14H,(H,16,17,18)
InChIKey
OHJBMGCONAPVFU-UHFFFAOYSA-N
Compound name
5-benzoyloxy-2-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0198 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02708 161.5
[M+Na]+ 317.00902 173.1
[M+NH4]+ 312.05362 167.2
[M+K]+ 332.98296 167.6
[M-H]- 293.01252 162.2
[M+Na-2H]- 314.99447 167.7
[M]+ 294.01925 163.6
[M]- 294.02035 163.6
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.