CID 150856

5-fluorouridine monophosphate

Structural Information

Molecular Formula
C9H12FN2O9P
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F
InChI
InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
InChIKey
RNBMPPYRHNWTMA-UAKXSSHOSA-N
Compound name
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

625
Patents

342.02646 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03374 170.5
[M+Na]+ 365.01568 176.1
[M+NH4]+ 360.06028 170.2
[M+K]+ 380.98962 180.2
[M-H]- 341.01918 165.0
[M+Na-2H]- 363.00113 167.6
[M]+ 342.02591 168.7
[M]- 342.02701 168.7
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