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

2
Patents

157.02875 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03603 123.8
[M+Na]+ 180.01797 132.8
[M-H]- 156.02147 125.2
[M+NH4]+ 175.06257 142.3
[M+K]+ 195.99191 127.0
[M+H-H2O]+ 140.02601 121.3
[M+HCOO]- 202.02695 149.0
[M+CH3COO]- 216.04260 172.0
[M+Na-2H]- 178.00342 132.6
[M]+ 157.02820 119.5
[M]- 157.02930 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