CID 6273

Glyoxal, (p-phenoxyphenyl)-

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C=O

InChI

InChI=1S/C14H10O3/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-10H

InChIKey

RCMGUDDPKUIMTI-UHFFFAOYSA-N

Compound name

2-oxo-2-(4-phenoxyphenyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 226.06299 Da
Monoisotopic Mass: 3.7
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]+	227.070266	147.2
[M+Na]+	249.052208	154.9
[M-H]-	225.055714	154.1
[M+NH4]+	244.096813	164.9
[M+K]+	265.026148	152.1
[M+H-H2O]+	209.060250	139.8
[M+HCOO]-	271.061191	171.7
[M+CH3COO]-	285.076841	188.5
[M+Na-2H]-	247.037656	153.4
[M]+	226.06244142	149.0
[M]-	226.06353858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe