CID 2794725

112804-58-7

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

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

InChI

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

InChIKey

VOHABWOWKDXZIM-UHFFFAOYSA-N

Compound name

2-(4-formylphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 226.06299 Da
Monoisotopic Mass: 2.4
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	147.1
[M+Na]+	249.05221	155.4
[M-H]-	225.05571	153.0
[M+NH4]+	244.09681	164.4
[M+K]+	265.02615	151.6
[M+H-H2O]+	209.06025	140.3
[M+HCOO]-	271.06119	170.1
[M+CH3COO]-	285.07684	187.1
[M+Na-2H]-	247.03766	152.2
[M]+	226.06244	147.4
[M]-	226.06354	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe