CID 11182621

5-fluoropyrimidine-4,6-diol

Structural Information

Molecular Formula

C₄H₃FN₂O₂

SMILES

C1=NC(=C(C(=O)N1)F)O

InChI

InChI=1S/C4H3FN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)

InChIKey

XGSFAIWGUAFXSG-UHFFFAOYSA-N

Compound name

5-fluoro-4-hydroxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 130.01785 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]+	131.025126	119.0
[M+Na]+	153.007068	129.9
[M-H]-	129.010574	117.0
[M+NH4]+	148.051673	137.4
[M+K]+	168.981008	127.1
[M+H-H2O]+	113.015110	112.3
[M+HCOO]-	175.016051	139.2
[M+CH3COO]-	189.031701	164.6
[M+Na-2H]-	150.992516	126.9
[M]+	130.01730142	116.2
[M]-	130.01839858	116.2

Literature stripe

literature stripe

Patent stripe

patents stripe