CID 46839640

1179362-36-7

Structural Information

Molecular Formula

C₁₅H₁₂O₃

SMILES

CC1=C(C=CC(=C1)C=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H12O3/c1-10-8-11(9-16)2-7-14(10)12-3-5-13(6-4-12)15(17)18/h2-9H,1H3,(H,17,18)

InChIKey

GDJPELJDSACTQZ-UHFFFAOYSA-N

Compound name

4-(4-formyl-2-methylphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 240.07864 Da
Monoisotopic Mass: 2.9
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	152.9
[M+Na]+	263.06786	167.6
[M+NH4]+	258.11246	160.7
[M+K]+	279.04180	160.7
[M-H]-	239.07136	156.5
[M+Na-2H]-	261.05331	161.3
[M]+	240.07809	156.0
[M]-	240.07919	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe