CID 6200

66-98-8

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

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

InChI

InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H

InChIKey

FEHLIYXNTWAEBQ-UHFFFAOYSA-N

Compound name

4-(4-formylphenyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 974
Patents: 210.06808 Da
Monoisotopic Mass: 3.3
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]+	211.075356	143.1
[M+Na]+	233.057298	152.2
[M-H]-	209.060804	150.4
[M+NH4]+	228.101903	162.0
[M+K]+	249.031238	148.3
[M+H-H2O]+	193.065340	136.2
[M+HCOO]-	255.066281	168.5
[M+CH3COO]-	269.081931	186.7
[M+Na-2H]-	231.042746	149.9
[M]+	210.06753142	144.5
[M]-	210.06862858	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe