CID 2759300

92379-10-7

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

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

InChI

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

InChIKey

JIKAGDRSOLWVAB-UHFFFAOYSA-N

Compound name

2-(3-hydroxyphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 214.06299 Da
Monoisotopic Mass: 2.5
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