CID 3537941

2-(4-phenylphenyl)malondialdehyde

Structural Information

Molecular Formula

C₁₅H₁₂O₂

SMILES

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

InChI

InChI=1S/C15H12O2/c16-10-15(11-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,15H

InChIKey

XUUQGMCYFDBDJI-UHFFFAOYSA-N

Compound name

2-(4-phenylphenyl)propanedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 224.08372 Da
Monoisotopic Mass: 3.4
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]+	225.09100	149.9
[M+Na]+	247.07294	164.9
[M+NH4]+	242.11754	158.7
[M+K]+	263.04688	156.8
[M-H]-	223.07644	154.4
[M+Na-2H]-	245.05839	159.8
[M]+	224.08317	153.4
[M]-	224.08427	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe