CID 488455

Schembl30882790

Structural Information

Molecular Formula
C14H16Cl6FN2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)F
InChI
InChI=1S/C14H16Cl6FN2O7P/c1-7-3-23(12(25)22-11(7)24)10-2-8(21)9(30-10)4-27-31(26,28-5-13(15,16)17)29-6-14(18,19)20/h3,8-10H,2,4-6H2,1H3,(H,22,24,25)/t8-,9+,10+/m0/s1
InChIKey
CJCUWZOOXLWFNQ-IVZWLZJFSA-N
Compound name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

583.88104 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.88832 209.2
[M+Na]+ 606.87026 215.1
[M-H]- 582.87376 205.9
[M+NH4]+ 601.91486 212.2
[M+K]+ 622.84420 214.1
[M+H-H2O]+ 566.87830 201.6
[M+HCOO]- 628.87924 196.8
[M+CH3COO]- 642.89489 238.3
[M+Na-2H]- 604.85571 205.3
[M]+ 583.88049 210.5
[M]- 583.88159 210.5
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.