CID 12097745

6-bromo-3-nitro-2-pyridinamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

216.94868 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe