CID 455761

Flt-5'-opo2h(cn)

Structural Information

Molecular Formula
C11H13FN3O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C#N)O)F
InChI
InChI=1S/C11H13FN3O6P/c1-6-3-15(11(17)14-10(6)16)9-2-7(12)8(21-9)4-20-22(18,19)5-13/h3,7-9H,2,4H2,1H3,(H,18,19)(H,14,16,17)/t7-,8+,9+/m0/s1
InChIKey
QTBLWBYNHMMODD-DJLDLDEBSA-N
Compound name
cyano-[[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.0526 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.05988 160.6
[M+Na]+ 356.04182 170.2
[M-H]- 332.04532 159.8
[M+NH4]+ 351.08642 169.8
[M+K]+ 372.01576 168.5
[M+H-H2O]+ 316.04986 143.9
[M+HCOO]- 378.05080 177.5
[M+CH3COO]- 392.06645 212.4
[M+Na-2H]- 354.02727 160.0
[M]+ 333.05205 156.3
[M]- 333.05315 156.3
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.