CID 137973

M-nitrobenzoyl azide

Structural Information

Molecular Formula
C7H4N4O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N=[N+]=[N-]
InChI
InChI=1S/C7H4N4O3/c8-10-9-7(12)5-2-1-3-6(4-5)11(13)14/h1-4H
InChIKey
MBUKWVQKGHOBTG-UHFFFAOYSA-N
Compound name
3-nitrobenzoyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

192.02834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03562 136.9
[M+Na]+ 215.01756 143.0
[M-H]- 191.02106 143.2
[M+NH4]+ 210.06216 154.6
[M+K]+ 230.99150 133.9
[M+H-H2O]+ 175.02560 138.8
[M+HCOO]- 237.02654 168.1
[M+CH3COO]- 251.04219 179.9
[M+Na-2H]- 213.00301 148.0
[M]+ 192.02779 132.9
[M]- 192.02889 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe