CID 5289534

2'-fluoro-2'-deoxyuridine 3'-monophosphate

Structural Information

Molecular Formula
C9H12FN2O8P
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F
InChI
InChI=1S/C9H12FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,4,6-8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey
IFIXUMAFUNKIAA-XVFCMESISA-N
Compound name
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

326.03152 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.03880 163.9
[M+Na]+ 349.02074 171.8
[M-H]- 325.02424 161.9
[M+NH4]+ 344.06534 173.2
[M+K]+ 364.99468 170.5
[M+H-H2O]+ 309.02878 154.2
[M+HCOO]- 371.02972 182.2
[M+CH3COO]- 385.04537 195.7
[M+Na-2H]- 347.00619 163.4
[M]+ 326.03097 163.7
[M]- 326.03207 163.7
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