PubChemLite - 5-fluoro-2'-deoxyuridine-5'-monophosphate (C9H12FN2O8P)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O

InChI

InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1

InChIKey

HFEKDTCAMMOLQP-RRKCRQDMSA-N

Compound name

[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	327.03880	167.2
[M+Na]+	349.02074	173.5
[M+NH4]+	344.06534	167.8
[M+K]+	364.99468	176.5
[M-H]-	325.02424	162.6
[M+Na-2H]-	347.00619	165.6
[M]+	326.03097	165.8
[M]-	326.03207	165.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

327.03880

167.2

[M+Na]+

349.02074

173.5

[M+NH4]+

344.06534

167.8

[M+K]+

364.99468

176.5

[M-H]-

325.02424

162.6

[M+Na-2H]-

347.00619

165.6

[M]+

326.03097

165.8

[M]-

326.03207

165.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5-fluoro-2'-deoxyuridine-5'-monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe