CID 470157

Bis(acetyloxymethyl) ethyl foscarnet

Structural Information

Molecular Formula
C9H15O9P
SMILES
CCOC(=O)P(=O)(OCOC(=O)C)OCOC(=O)C
InChI
InChI=1S/C9H15O9P/c1-4-14-9(12)19(13,17-5-15-7(2)10)18-6-16-8(3)11/h4-6H2,1-3H3
InChIKey
WEJMZPKLKHTZCN-UHFFFAOYSA-N
Compound name
[acetyloxymethoxy(ethoxycarbonyl)phosphoryl]oxymethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.04538 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05266 158.1
[M+Na]+ 321.03460 163.9
[M-H]- 297.03810 173.3
[M+NH4]+ 316.07920 181.6
[M+K]+ 337.00854 167.1
[M+H-H2O]+ 281.04264 150.4
[M+HCOO]- 343.04358 188.1
[M+CH3COO]- 357.05923 198.8
[M+Na-2H]- 319.02005 159.2
[M]+ 298.04483 173.1
[M]- 298.04593 173.1
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.