CID 448302

(4s)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1h)-one

Structural Information

Molecular Formula

C₄H₅FN₂O₂

SMILES

C1=C([C@@H](NC(=O)N1)O)F

InChI

InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m0/s1

InChIKey

PRVUBDAKZJCBTI-VKHMYHEASA-N

Compound name

(4S)-5-fluoro-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.03351 Da
Monoisotopic Mass: -1.4
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]+	133.040786	123.8
[M+Na]+	155.022728	132.2
[M-H]-	131.026234	119.5
[M+NH4]+	150.067333	141.1
[M+K]+	170.996668	128.9
[M+H-H2O]+	115.030770	117.2
[M+HCOO]-	177.031711	139.4
[M+CH3COO]-	191.047361	162.8
[M+Na-2H]-	153.008176	129.0
[M]+	132.03296142	116.2
[M]-	132.03405858	116.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.