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]+ 159.02005 122.6
[M+Na]+ 181.00199 132.2
[M-H]- 157.00549 123.3
[M+NH4]+ 176.04659 140.9
[M+K]+ 196.97593 125.9
[M+H-H2O]+ 141.01003 120.7
[M+HCOO]- 203.01097 146.3
[M+CH3COO]- 217.02662 166.3
[M+Na-2H]- 178.98744 131.7
[M]+ 158.01222 118.9
[M]- 158.01332 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.