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: 49
Patents: 154.01785 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.025126	125.5
[M+Na]+	177.007068	137.5
[M-H]-	153.010574	124.7
[M+NH4]+	172.051673	142.4
[M+K]+	192.981008	134.3
[M+H-H2O]+	137.015110	112.9
[M+HCOO]-	199.016051	142.9
[M+CH3COO]-	213.031701	183.7
[M+Na-2H]-	174.992516	131.1
[M]+	154.01730142	118.2
[M]-	154.01839858	118.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe