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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.065176	147.5
[M+Na]+	253.047118	155.7
[M-H]-	229.050624	151.1
[M+NH4]+	248.091723	163.4
[M+K]+	269.021058	151.8
[M+H-H2O]+	213.055160	141.2
[M+HCOO]-	275.056101	167.7
[M+CH3COO]-	289.071751	183.5
[M+Na-2H]-	251.032566	151.4
[M]+	230.05735142	146.3
[M]-	230.05844858	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe