CID 58326731

1-azido-4-bromo-2-nitrobenzene

Structural Information

Molecular Formula
C6H3BrN4O2
SMILES
C1=CC(=C(C=C1Br)[N+](=O)[O-])N=[N+]=[N-]
InChI
InChI=1S/C6H3BrN4O2/c7-4-1-2-5(9-10-8)6(3-4)11(12)13/h1-3H
InChIKey
YQQZPZKMBPWWND-UHFFFAOYSA-N
Compound name
1-azido-4-bromo-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.94394 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.95122 143.6
[M+Na]+ 264.93316 153.8
[M-H]- 240.93666 152.2
[M+NH4]+ 259.97776 163.1
[M+K]+ 280.90710 135.5
[M+H-H2O]+ 224.94120 149.4
[M+HCOO]- 286.94214 172.4
[M+CH3COO]- 300.95779 187.4
[M+Na-2H]- 262.91861 155.6
[M]+ 241.94339 158.9
[M]- 241.94449 158.9
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