CID 91647449

4-bromo-2-nitropyridin-3-amine

Structural Information

Molecular Formula
C5H4BrN3O2
SMILES
C1=CN=C(C(=C1Br)N)[N+](=O)[O-]
InChI
InChI=1S/C5H4BrN3O2/c6-3-1-2-8-5(4(3)7)9(10)11/h1-2H,7H2
InChIKey
CCDDSQWYJJNCGY-UHFFFAOYSA-N
Compound name
4-bromo-2-nitropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

216.94868 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.955956 133.0
[M+Na]+ 239.937898 144.6
[M-H]- 215.941404 138.2
[M+NH4]+ 234.982503 152.7
[M+K]+ 255.911838 130.0
[M+H-H2O]+ 199.945940 136.1
[M+HCOO]- 261.946881 156.4
[M+CH3COO]- 275.962531 180.1
[M+Na-2H]- 237.923346 142.9
[M]+ 216.94813142 149.0
[M]- 216.94922858 149.0
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