CID 6398345

[(2s,5r)-4-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxyphosphinic acid

Structural Information

Molecular Formula
C10H11FN2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C(=C[C@H](O2)CO[P+](=O)O)F
InChI
InChI=1S/C10H10FN2O6P/c1-5-3-13(10(15)12-8(5)14)9-7(11)2-6(19-9)4-18-20(16)17/h2-3,6,9H,4H2,1H3,(H-,12,14,15,16,17)/p+1/t6-,9+/m0/s1
InChIKey
NEWRKQAXLHXKPZ-IMTBSYHQSA-O
Compound name
[(2S,5R)-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.03387 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04115 160.4
[M+Na]+ 328.02309 169.8
[M-H]- 304.02659 161.7
[M+NH4]+ 323.06769 172.1
[M+K]+ 343.99703 162.6
[M+H-H2O]+ 288.03113 152.7
[M+HCOO]- 350.03207 183.0
[M+CH3COO]- 364.04772 190.3
[M+Na-2H]- 326.00854 161.4
[M]+ 305.03332 161.4
[M]- 305.03442 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.