CID 464366

3'-o-meso2-5'-di(cl3et)tmp

Structural Information

Molecular Formula
C15H19Cl6N2O10PS
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)OS(=O)(=O)C
InChI
InChI=1S/C15H19Cl6N2O10PS/c1-8-4-23(13(25)22-12(8)24)11-3-9(33-35(2,27)28)10(32-11)5-29-34(26,30-6-14(16,17)18)31-7-15(19,20)21/h4,9-11H,3,5-7H2,1-2H3,(H,22,24,25)/t9-,10+,11+/m0/s1
InChIKey
WUYCBYYVNBZMCB-HBNTYKKESA-N
Compound name
[(2R,3S,5R)-2-[bis(2,2,2-trichloroethoxy)phosphoryloxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

659.8629 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 660.87018 216.0
[M+Na]+ 682.85212 219.8
[M-H]- 658.85562 215.8
[M+NH4]+ 677.89672 217.0
[M+K]+ 698.82606 221.7
[M+H-H2O]+ 642.86016 211.0
[M+HCOO]- 704.86110 201.3
[M+CH3COO]- 718.87675 245.7
[M+Na-2H]- 680.83757 215.0
[M]+ 659.86235 221.3
[M]- 659.86345 221.3
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.