CID 512606

99641-46-0

Structural Information

Molecular Formula
C9H10FN2O8P
SMILES
C1C2C([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)F)O)OP(=O)(O1)O
InChI
InChI=1S/C9H10FN2O8P/c10-3-1-12(9(15)11-7(3)14)8-5(13)6-4(19-8)2-18-21(16,17)20-6/h1,4-6,8,13H,2H2,(H,16,17)(H,11,14,15)/t4?,5-,6?,8-/m1/s1
InChIKey
PWMONNQGKGCANX-DVMOCUDESA-N
Compound name
1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.01587 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.02315 164.3
[M+Na]+ 347.00509 174.1
[M-H]- 323.00859 165.8
[M+NH4]+ 342.04969 174.8
[M+K]+ 362.97903 174.7
[M+H-H2O]+ 307.01313 155.1
[M+HCOO]- 369.01407 180.5
[M+CH3COO]- 383.02972 198.5
[M+Na-2H]- 344.99054 165.2
[M]+ 324.01532 164.8
[M]- 324.01642 164.8
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.