CID 73693

2-nitrophenyl azide

Structural Information

Molecular Formula
C6H4N4O2
SMILES
C1=CC=C(C(=C1)N=[N+]=[N-])[N+](=O)[O-]
InChI
InChI=1S/C6H4N4O2/c7-9-8-5-3-1-2-4-6(5)10(11)12/h1-4H
InChIKey
QJGDGUBLGKFNDB-UHFFFAOYSA-N
Compound name
1-azido-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1225
Patents

164.03343 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04071 133.6
[M+Na]+ 187.02265 147.3
[M+NH4]+ 182.06725 142.4
[M+K]+ 202.99659 144.9
[M-H]- 163.02615 140.4
[M+Na-2H]- 185.00810 141.6
[M]+ 164.03288 137.2
[M]- 164.03398 137.2
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.