CID 9427

5-fluorouridine

Structural Information

Molecular Formula
C9H11FN2O6
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F
InChI
InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
InChIKey
FHIDNBAQOFJWCA-UAKXSSHOSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

319
References

23296
Patents

262.06012 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06740 156.5
[M+Na]+ 285.04934 165.4
[M+NH4]+ 280.09394 159.3
[M+K]+ 301.02328 165.9
[M-H]- 261.05284 154.1
[M+Na-2H]- 283.03479 156.3
[M]+ 262.05957 156.3
[M]- 262.06067 156.3
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