CID 2759224

669713-90-0

Structural Information

Molecular Formula

C₁₅H₁₂O₃

SMILES

C1=CC(=CC=C1CC(=O)O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C15H12O3/c16-10-12-3-7-14(8-4-12)13-5-1-11(2-6-13)9-15(17)18/h1-8,10H,9H2,(H,17,18)

InChIKey

VRIMIPHUAHCGAI-UHFFFAOYSA-N

Compound name

2-[4-(4-formylphenyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 240.07864 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]+	241.08592	151.8
[M+Na]+	263.06786	159.6
[M-H]-	239.07136	157.5
[M+NH4]+	258.11246	168.5
[M+K]+	279.04180	155.6
[M+H-H2O]+	223.07590	144.7
[M+HCOO]-	285.07684	174.4
[M+CH3COO]-	299.09249	190.1
[M+Na-2H]-	261.05331	156.3
[M]+	240.07809	152.5
[M]-	240.07919	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe