CID 191215

5-fluorocytidine 5'-phosphate

Structural Information

Molecular Formula
C9H13FN3O8P
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F
InChI
InChI=1S/C9H13FN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
InChIKey
VLZKLBLFWAHHJM-UAKXSSHOSA-N
Compound name
[(2R,3S,4R,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

341.04242 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.04970 171.2
[M+Na]+ 364.03164 176.3
[M+NH4]+ 359.07624 171.4
[M+K]+ 380.00558 180.2
[M-H]- 340.03514 167.0
[M+Na-2H]- 362.01709 168.8
[M]+ 341.04187 169.7
[M]- 341.04297 169.7
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