CID 150927

1-azido-3-nitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

208
Patents

164.03343 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04071 129.8
[M+Na]+ 187.02265 136.4
[M-H]- 163.02615 136.2
[M+NH4]+ 182.06725 148.8
[M+K]+ 202.99659 127.3
[M+H-H2O]+ 147.03069 132.0
[M+HCOO]- 209.03163 161.9
[M+CH3COO]- 223.04728 176.3
[M+Na-2H]- 185.00810 142.4
[M]+ 164.03288 125.7
[M]- 164.03398 125.7
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