CID 9543324

2,3-dihydroxy-2'-carboxybiphenyl

Structural Information

Molecular Formula
C13H10O4
SMILES
C1=CC=C(C(=C1)C2=C(C(=CC=C2)O)O)C(=O)O
InChI
InChI=1S/C13H10O4/c14-11-7-3-6-9(12(11)15)8-4-1-2-5-10(8)13(16)17/h1-7,14-15H,(H,16,17)
InChIKey
ZEPICJFODWLEJX-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

16
Patents

230.0579 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 147.5
[M+Na]+ 253.04712 155.7
[M-H]- 229.05062 151.1
[M+NH4]+ 248.09172 163.4
[M+K]+ 269.02106 151.8
[M+H-H2O]+ 213.05516 141.2
[M+HCOO]- 275.05610 167.7
[M+CH3COO]- 289.07175 183.5
[M+Na-2H]- 251.03257 151.4
[M]+ 230.05735 146.3
[M]- 230.05845 146.3
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.