CID 224168

2-amino-5-chloro-3-nitropyridine

Structural Information

Molecular Formula
C5H4ClN3O2
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])N)Cl
InChI
InChI=1S/C5H4ClN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)
InChIKey
GILTXHIJUUIMPI-UHFFFAOYSA-N
Compound name
5-chloro-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
Patents

172.9992 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.006476 129.0
[M+Na]+ 195.988418 138.3
[M-H]- 171.991924 131.4
[M+NH4]+ 191.033023 147.7
[M+K]+ 211.962358 131.4
[M+H-H2O]+ 155.996460 128.4
[M+HCOO]- 217.997401 150.6
[M+CH3COO]- 232.013051 173.2
[M+Na-2H]- 193.973866 137.7
[M]+ 172.99865142 127.8
[M]- 172.99974858 127.8
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