CID 451472

Bis(acetyloxymethyl) phenyl foscarnet

Structural Information

Molecular Formula
C13H15O9P
SMILES
CC(=O)OCOP(=O)(C(=O)OC1=CC=CC=C1)OCOC(=O)C
InChI
InChI=1S/C13H15O9P/c1-10(14)18-8-20-23(17,21-9-19-11(2)15)13(16)22-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKey
PTTMUXNTEYQEBI-UHFFFAOYSA-N
Compound name
[acetyloxymethoxy(phenoxycarbonyl)phosphoryl]oxymethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.04538 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.05266 170.4
[M+Na]+ 369.03460 175.3
[M-H]- 345.03810 172.4
[M+NH4]+ 364.07920 183.3
[M+K]+ 385.00854 177.6
[M+H-H2O]+ 329.04264 161.0
[M+HCOO]- 391.04358 196.9
[M+CH3COO]- 405.05923 206.4
[M+Na-2H]- 367.02005 171.8
[M]+ 346.04483 180.7
[M]- 346.04593 180.7
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.