CID 9348

3-phenylsalicylic acid

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

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

InChI

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

InChIKey

ZJWUEJOPKFYFQD-UHFFFAOYSA-N

Compound name

2-hydroxy-3-phenylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 6977
Patents: 214.06299 Da
Monoisotopic Mass: 4.1
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]+	215.070266	144.3
[M+Na]+	237.052208	152.2
[M-H]-	213.055714	148.9
[M+NH4]+	232.096813	161.4
[M+K]+	253.026148	148.4
[M+H-H2O]+	197.060250	137.8
[M+HCOO]-	259.061191	165.9
[M+CH3COO]-	273.076841	182.4
[M+Na-2H]-	235.037656	149.4
[M]+	214.06244142	143.1
[M]-	214.06353858	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe