CID 452214

2'-fd4u

Structural Information

Molecular Formula
C9H9FN2O4
SMILES
C1=CN(C(=O)NC1=O)[C@H]2C(=C[C@H](O2)CO)F
InChI
InChI=1S/C9H9FN2O4/c10-6-3-5(4-13)16-8(6)12-2-1-7(14)11-9(12)15/h1-3,5,8,13H,4H2,(H,11,14,15)/t5-,8+/m0/s1
InChIKey
SXIDSWOQTOLVOL-YLWLKBPMSA-N
Compound name
1-[(2R,5S)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

228.05464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.