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: 1621
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]+	176.045456	132.1
[M+Na]+	198.027398	139.6
[M-H]-	174.030904	138.8
[M+NH4]+	193.072003	152.1
[M+K]+	214.001338	134.0
[M+H-H2O]+	158.035440	129.9
[M+HCOO]-	220.036381	163.6
[M+CH3COO]-	234.052031	182.1
[M+Na-2H]-	196.012846	142.4
[M]+	175.03763142	130.8
[M]-	175.03872858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe