CID 12519608

62940-38-9

Structural Information

Molecular Formula

C₂₀H₁₄O₂

SMILES

C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C20H14O2/c21-13-15-1-5-17(6-2-15)19-9-11-20(12-10-19)18-7-3-16(14-22)4-8-18/h1-14H

InChIKey

YGHMZQVOFVDADV-UHFFFAOYSA-N

Compound name

4-[4-(4-formylphenyl)phenyl]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 286.09937 Da
Monoisotopic Mass: 4.1
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]+	287.10665	165.9
[M+Na]+	309.08859	174.5
[M-H]-	285.09209	175.9
[M+NH4]+	304.13319	181.1
[M+K]+	325.06253	168.6
[M+H-H2O]+	269.09663	156.8
[M+HCOO]-	331.09757	190.2
[M+CH3COO]-	345.11322	178.3
[M+Na-2H]-	307.07404	170.9
[M]+	286.09882	166.8
[M]-	286.09992	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe