CID 2794721

222180-19-0

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

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

InChI

InChI=1S/C14H10O3/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-9H,(H,16,17)

InChIKey

QOCUSJPHQSKJJR-UHFFFAOYSA-N

Compound name

3-(3-formylphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 226.06299 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]+	227.07027	148.7
[M+Na]+	249.05221	163.3
[M+NH4]+	244.09681	156.7
[M+K]+	265.02615	156.4
[M-H]-	225.05571	152.3
[M+Na-2H]-	247.03766	157.6
[M]+	226.06244	151.8
[M]-	226.06354	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe