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 160.9
[M+Na]+ 317.00902 168.9
[M-H]- 293.01252 165.6
[M+NH4]+ 312.05362 174.9
[M+K]+ 332.98296 165.4
[M+H-H2O]+ 277.01706 154.3
[M+HCOO]- 339.01800 176.7
[M+CH3COO]- 353.03365 191.1
[M+Na-2H]- 314.99447 164.7
[M]+ 294.01925 164.2
[M]- 294.02035 164.2
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.