CID 12275773

6-fluoro-3-nitropyridin-2-amine

Structural Information

Molecular Formula
C5H4FN3O2
SMILES
C1=CC(=NC(=C1[N+](=O)[O-])N)F
InChI
InChI=1S/C5H4FN3O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H,(H2,7,8)
InChIKey
RYQIGJVUEBKTLL-UHFFFAOYSA-N
Compound name
6-fluoro-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

157.02875 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036026 123.8
[M+Na]+ 180.017968 132.8
[M-H]- 156.021474 125.2
[M+NH4]+ 175.062573 142.3
[M+K]+ 195.991908 127.0
[M+H-H2O]+ 140.026010 121.3
[M+HCOO]- 202.026951 149.0
[M+CH3COO]- 216.042601 172.0
[M+Na-2H]- 178.003416 132.6
[M]+ 157.02820142 119.5
[M]- 157.02929858 119.5
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