CID 135499944

5-fluoro-2,6-dihydroxynicotinamide

Structural Information

Molecular Formula

C₆H₅FN₂O₃

SMILES

C1=C(C(=O)NC(=C1C(=O)N)O)F

InChI

InChI=1S/C6H5FN2O3/c7-3-1-2(4(8)10)5(11)9-6(3)12/h1H,(H2,8,10)(H2,9,11,12)

InChIKey

AKRHQLMLNZKYRK-UHFFFAOYSA-N

Compound name

5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 172.02843 Da
Monoisotopic Mass: -0.5
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]+	173.03571	129.7
[M+Na]+	195.01765	139.6
[M-H]-	171.02115	128.7
[M+NH4]+	190.06225	147.1
[M+K]+	210.99159	136.5
[M+H-H2O]+	155.02569	123.1
[M+HCOO]-	217.02663	150.2
[M+CH3COO]-	231.04228	175.9
[M+Na-2H]-	193.00310	133.7
[M]+	172.02788	125.7
[M]-	172.02898	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe