CID 150623143

4-azido-1-bromo-2-nitrobenzene

Structural Information

Molecular Formula
C6H3BrN4O2
SMILES
C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])Br
InChI
InChI=1S/C6H3BrN4O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13/h1-3H
InChIKey
IWIHHBYGDHHMJR-UHFFFAOYSA-N
Compound name
4-azido-1-bromo-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.