CID 470160

[acetoxymethoxy-(2,4-dichlorophenoxy)carbonyl-phosphoryl]oxymethyl acetate

Structural Information

Molecular Formula
C13H13Cl2O9P
SMILES
CC(=O)OCOP(=O)(C(=O)OC1=C(C=C(C=C1)Cl)Cl)OCOC(=O)C
InChI
InChI=1S/C13H13Cl2O9P/c1-8(16)20-6-22-25(19,23-7-21-9(2)17)13(18)24-12-4-3-10(14)5-11(12)15/h3-5H,6-7H2,1-2H3
InChIKey
RLAQYXUYNFTIHE-UHFFFAOYSA-N
Compound name
[acetyloxymethoxy-(2,4-dichlorophenoxy)carbonylphosphoryl]oxymethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.96744 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.97472 171.6
[M+Na]+ 436.95666 180.0
[M-H]- 412.96016 175.0
[M+NH4]+ 432.00126 184.5
[M+K]+ 452.93060 179.2
[M+H-H2O]+ 396.96470 165.5
[M+HCOO]- 458.96564 189.5
[M+CH3COO]- 472.98129 216.6
[M+Na-2H]- 434.94211 172.3
[M]+ 413.96689 186.5
[M]- 413.96799 186.5
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.