CID 11550488

92152-01-7

Structural Information

Molecular Formula

C₁₄H₁₀O₄

SMILES

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

InChI

InChI=1S/C14H10O4/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H,15,16)(H,17,18)

InChIKey

GSYIVQLTSZFJRV-UHFFFAOYSA-N

Compound name

3-(4-carboxyphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1267
Patents: 242.0579 Da
Monoisotopic Mass: 2.6
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]+	243.06518	152.1
[M+Na]+	265.04712	165.3
[M+NH4]+	260.09172	159.0
[M+K]+	281.02106	160.1
[M-H]-	241.05062	154.4
[M+Na-2H]-	263.03257	159.5
[M]+	242.05735	154.5
[M]-	242.05845	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe