CID 471745

15379-29-0

Structural Information

Molecular Formula

C₉H₉FN₂O₄

SMILES

C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)F

InChI

InChI=1S/C9H9FN2O4/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(4-13)16-7/h1-3,5,7,13H,4H2,(H,11,14,15)/t5-,7+/m0/s1

InChIKey

SHVSSJHFEDAZCZ-CAHLUQPWSA-N

Compound name

5-fluoro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 228.05464 Da
Monoisotopic Mass: -0.9
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]+	229.06192	143.2
[M+Na]+	251.04386	154.0
[M-H]-	227.04736	145.2
[M+NH4]+	246.08846	158.1
[M+K]+	267.01780	151.1
[M+H-H2O]+	211.05190	135.4
[M+HCOO]-	273.05284	162.1
[M+CH3COO]-	287.06849	182.0
[M+Na-2H]-	249.02931	146.7
[M]+	228.05409	142.6
[M]-	228.05519	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe