CID 447405

3'-fluoro-3'-deoxythymidine 5'-monophosphate

Structural Information

Molecular Formula
C10H14FN2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F
InChI
InChI=1S/C10H14FN2O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey
GGCAVPJXJISBOA-XLPZGREQSA-N
Compound name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

32
Patents

324.05228 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05956 165.8
[M+Na]+ 347.04150 174.2
[M-H]- 323.04500 165.1
[M+NH4]+ 342.08610 176.2
[M+K]+ 363.01544 172.7
[M+H-H2O]+ 307.04954 156.0
[M+HCOO]- 369.05048 185.3
[M+CH3COO]- 383.06613 198.3
[M+Na-2H]- 345.02695 165.0
[M]+ 324.05173 166.5
[M]- 324.05283 166.5
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