CID 454860

D4t 5'(di-cl3et)po4

Structural Information

Molecular Formula
C14H15Cl6N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C14H15Cl6N2O7P/c1-8-4-22(12(24)21-11(8)23)10-3-2-9(29-10)5-26-30(25,27-6-13(15,16)17)28-7-14(18,19)20/h2-4,9-10H,5-7H2,1H3,(H,21,23,24)/t9-,10+/m0/s1
InChIKey
WZAOLLDCKXJLRG-VHSXEESVSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.8748 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.88208 208.1
[M+Na]+ 586.86402 214.1
[M-H]- 562.86752 205.9
[M+NH4]+ 581.90862 211.6
[M+K]+ 602.83796 213.1
[M+H-H2O]+ 546.87206 200.7
[M+HCOO]- 608.87300 197.5
[M+CH3COO]- 622.88865 234.8
[M+Na-2H]- 584.84947 205.4
[M]+ 563.87425 210.9
[M]- 563.87535 210.9
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.