CID 21078

4974-58-7

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

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

InChI

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

InChIKey

ZISUOZSNZBKYOT-UHFFFAOYSA-N

Compound name

2-oxo-2-(4-phenylphenyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 210.06808 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]+	211.075356	143.9
[M+Na]+	233.057298	151.7
[M-H]-	209.060804	150.8
[M+NH4]+	228.101903	162.2
[M+K]+	249.031238	148.2
[M+H-H2O]+	193.065340	136.8
[M+HCOO]-	255.066281	168.1
[M+CH3COO]-	269.081931	186.4
[M+Na-2H]-	231.042746	150.1
[M]+	210.06753142	144.2
[M]-	210.06862858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe