CID 2759301

171047-01-1

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)O

InChI

InChI=1S/C13H10O3/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8,14H,(H,15,16)

InChIKey

CTFCUBMVYRSJLK-UHFFFAOYSA-N

Compound name

3-(3-hydroxyphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 63
Patents: 214.06299 Da
Monoisotopic Mass: 2.8
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]+	215.07027	144.3
[M+Na]+	237.05221	152.2
[M-H]-	213.05571	148.9
[M+NH4]+	232.09681	161.4
[M+K]+	253.02615	148.4
[M+H-H2O]+	197.06025	137.8
[M+HCOO]-	259.06119	165.9
[M+CH3COO]-	273.07684	182.4
[M+Na-2H]-	235.03766	149.4
[M]+	214.06244	143.1
[M]-	214.06354	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe