CID 484762

Nsc670889

Structural Information

Molecular Formula
C9H11FN2O3S
SMILES
C1[C@H]([C@H](S[C@H]1N2C=CC(=O)NC2=O)CO)F
InChI
InChI=1S/C9H11FN2O3S/c10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4H2,(H,11,14,15)/t5-,6-,8-/m1/s1
InChIKey
ONBOXRBCMARQFJ-ATRFCDNQSA-N
Compound name
1-[(2R,4R,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.04744 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05472 149.0
[M+Na]+ 269.03666 159.1
[M-H]- 245.04016 150.0
[M+NH4]+ 264.08126 165.1
[M+K]+ 285.01060 154.0
[M+H-H2O]+ 229.04470 141.8
[M+HCOO]- 291.04564 162.2
[M+CH3COO]- 305.06129 183.8
[M+Na-2H]- 267.02211 147.8
[M]+ 246.04689 147.4
[M]- 246.04799 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.