CID 125200

P-azidophenylglyoxal

Structural Information

Molecular Formula

C₈H₅N₃O₂

SMILES

C1=CC(=CC=C1C(=O)C=O)N=[N+]=[N-]

InChI

InChI=1S/C8H5N3O2/c9-11-10-7-3-1-6(2-4-7)8(13)5-12/h1-5H

InChIKey

CALIYGMVBZRBLV-UHFFFAOYSA-N

Compound name

2-(4-azidophenyl)-2-oxoacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 1925
Patents: 175.03818 Da
Monoisotopic Mass: 2.4
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]+	176.04546	133.6
[M+Na]+	198.02740	146.5
[M+NH4]+	193.07200	141.7
[M+K]+	214.00134	142.1
[M-H]-	174.03090	138.4
[M+Na-2H]-	196.01285	141.4
[M]+	175.03763	136.5
[M]-	175.03873	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe