CID 6256

Trifluridine

Structural Information

Molecular Formula
C10H11F3N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O
InChI
InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1
InChIKey
VSQQQLOSPVPRAZ-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

930
References

34278
Patents

296.062 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.069276 158.5
[M+Na]+ 319.051218 168.5
[M-H]- 295.054724 156.5
[M+NH4]+ 314.095823 169.9
[M+K]+ 335.025158 165.0
[M+H-H2O]+ 279.059260 149.7
[M+HCOO]- 341.060201 170.4
[M+CH3COO]- 355.075851 192.2
[M+Na-2H]- 317.036666 159.4
[M]+ 296.06145142 154.0
[M]- 296.06254858 154.0
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

patents stripe