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

1581
Patents

175.03818 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.04546 132.1
[M+Na]+ 198.02740 139.6
[M-H]- 174.03090 138.8
[M+NH4]+ 193.07200 152.1
[M+K]+ 214.00134 134.0
[M+H-H2O]+ 158.03544 129.9
[M+HCOO]- 220.03638 163.6
[M+CH3COO]- 234.05203 182.1
[M+Na-2H]- 196.01285 142.4
[M]+ 175.03763 130.8
[M]- 175.03873 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.