CID 819994

2,6-dihydroxy-5-fluoro-3-cyano-pyridine

Structural Information

Molecular Formula
C6H3FN2O2
SMILES
C1=C(C(=O)NC(=C1F)O)C#N
InChI
InChI=1S/C6H3FN2O2/c7-4-1-3(2-8)5(10)9-6(4)11/h1H,(H2,9,10,11)
InChIKey
JWNUZZLUDDUXPO-UHFFFAOYSA-N
Compound name
5-fluoro-6-hydroxy-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

154.01785 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02513 125.5
[M+Na]+ 177.00707 137.5
[M-H]- 153.01057 124.7
[M+NH4]+ 172.05167 142.4
[M+K]+ 192.98101 134.3
[M+H-H2O]+ 137.01511 112.9
[M+HCOO]- 199.01605 142.9
[M+CH3COO]- 213.03170 183.7
[M+Na-2H]- 174.99252 131.1
[M]+ 154.01730 118.2
[M]- 154.01840 118.2
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