CID 451669

Bis(acetyloxymethyl) methyl foscarnet

Structural Information

Molecular Formula
C8H13O9P
SMILES
CC(=O)OCOP(=O)(C(=O)OC)OCOC(=O)C
InChI
InChI=1S/C8H13O9P/c1-6(9)14-4-16-18(12,8(11)13-3)17-5-15-7(2)10/h4-5H2,1-3H3
InChIKey
OBKZVMAQZJNKHN-UHFFFAOYSA-N
Compound name
[acetyloxymethoxy(methoxycarbonyl)phosphoryl]oxymethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.02972 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03700 153.2
[M+Na]+ 307.01894 159.5
[M-H]- 283.02244 152.4
[M+NH4]+ 302.06354 177.7
[M+K]+ 322.99288 162.9
[M+H-H2O]+ 267.02698 145.8
[M+HCOO]- 329.02792 184.6
[M+CH3COO]- 343.04357 195.8
[M+Na-2H]- 305.00439 154.9
[M]+ 284.02917 164.7
[M]- 284.03027 164.7
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.