CID 11716087

Pme-5fu

Structural Information

Molecular Formula
C7H10FN2O6P
SMILES
C1=C(C(=O)NC(=O)N1CCOCP(=O)(O)O)F
InChI
InChI=1S/C7H10FN2O6P/c8-5-3-10(7(12)9-6(5)11)1-2-16-4-17(13,14)15/h3H,1-2,4H2,(H,9,11,12)(H2,13,14,15)
InChIKey
SSVJIXQEQWAHAV-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.02606 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03334 152.6
[M+Na]+ 291.01528 161.9
[M-H]- 267.01878 147.9
[M+NH4]+ 286.05988 164.9
[M+K]+ 306.98922 159.2
[M+H-H2O]+ 251.02332 142.9
[M+HCOO]- 313.02426 174.6
[M+CH3COO]- 327.03991 187.3
[M+Na-2H]- 289.00073 155.0
[M]+ 268.02551 154.1
[M]- 268.02661 154.1
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

No patent data available for this compound.