CID 130969051

2-fluoro-3-nitropyridin-4-ol

Structural Information

Molecular Formula
C5H3FN2O3
SMILES
C1=CNC(=C(C1=O)[N+](=O)[O-])F
InChI
InChI=1S/C5H3FN2O3/c6-5-4(8(10)11)3(9)1-2-7-5/h1-2H,(H,7,9)
InChIKey
TVRORRSHHNGEFP-UHFFFAOYSA-N
Compound name
2-fluoro-3-nitro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.01277 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.020046 122.6
[M+Na]+ 181.001988 132.2
[M-H]- 157.005494 123.3
[M+NH4]+ 176.046593 140.9
[M+K]+ 196.975928 125.9
[M+H-H2O]+ 141.010030 120.7
[M+HCOO]- 203.010971 146.3
[M+CH3COO]- 217.026621 166.3
[M+Na-2H]- 178.987436 131.7
[M]+ 158.01222142 118.9
[M]- 158.01331858 118.9
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

No patent data available for this compound.