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

277
Patents

216.94868 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.95596 133.0
[M+Na]+ 239.93790 144.6
[M-H]- 215.94140 138.2
[M+NH4]+ 234.98250 152.7
[M+K]+ 255.91184 130.0
[M+H-H2O]+ 199.94594 136.1
[M+HCOO]- 261.94688 156.4
[M+CH3COO]- 275.96253 180.1
[M+Na-2H]- 237.92335 142.9
[M]+ 216.94813 149.0
[M]- 216.94923 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