CID 70701106

5-bromo-6-chloro-3-nitropyridin-2-amine

Structural Information

Molecular Formula
C5H3BrClN3O2
SMILES
C1=C(C(=NC(=C1Br)Cl)N)[N+](=O)[O-]
InChI
InChI=1S/C5H3BrClN3O2/c6-2-1-3(10(11)12)5(8)9-4(2)7/h1H,(H2,8,9)
InChIKey
ZXEAEDQQTTWJBE-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

250.90971 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.91699 138.9
[M+Na]+ 273.89893 152.0
[M-H]- 249.90243 144.0
[M+NH4]+ 268.94353 158.3
[M+K]+ 289.87287 135.6
[M+H-H2O]+ 233.90697 143.0
[M+HCOO]- 295.90791 157.8
[M+CH3COO]- 309.92356 184.8
[M+Na-2H]- 271.88438 147.7
[M]+ 250.90916 157.0
[M]- 250.91026 157.0
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