CID 470162

[(2,4-dichlorophenoxy)carbonyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Structural Information

Molecular Formula
C19H25Cl2O9P
SMILES
CC(C)(C)C(=O)OCOP(=O)(C(=O)OC1=C(C=C(C=C1)Cl)Cl)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C19H25Cl2O9P/c1-18(2,3)15(22)26-10-28-31(25,29-11-27-16(23)19(4,5)6)17(24)30-14-8-7-12(20)9-13(14)21/h7-9H,10-11H2,1-6H3
InChIKey
JCXAKUBPOZLKKG-UHFFFAOYSA-N
Compound name
[(2,4-dichlorophenoxy)carbonyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.0613 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.06858 197.9
[M+Na]+ 521.05052 204.6
[M-H]- 497.05402 199.9
[M+NH4]+ 516.09512 207.8
[M+K]+ 537.02446 204.0
[M+H-H2O]+ 481.05856 192.1
[M+HCOO]- 543.05950 213.9
[M+CH3COO]- 557.07515 233.2
[M+Na-2H]- 519.03597 199.3
[M]+ 498.06075 213.7
[M]- 498.06185 213.7
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.