CID 470161

[(2,4-dichlorophenoxy)carbonyl-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate

Structural Information

Molecular Formula
C17H21Cl2O9P
SMILES
CC(C)C(=O)OCOP(=O)(C(=O)OC1=C(C=C(C=C1)Cl)Cl)OCOC(=O)C(C)C
InChI
InChI=1S/C17H21Cl2O9P/c1-10(2)15(20)24-8-26-29(23,27-9-25-16(21)11(3)4)17(22)28-14-6-5-12(18)7-13(14)19/h5-7,10-11H,8-9H2,1-4H3
InChIKey
QIHLMNNGLZVJTC-UHFFFAOYSA-N
Compound name
[(2,4-dichlorophenoxy)carbonyl-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.03003 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.03731 187.4
[M+Na]+ 493.01925 193.7
[M-H]- 469.02275 190.3
[M+NH4]+ 488.06385 208.3
[M+K]+ 508.99319 193.3
[M+H-H2O]+ 453.02729 181.2
[M+HCOO]- 515.02823 208.5
[M+CH3COO]- 529.04388 229.7
[M+Na-2H]- 491.00470 184.2
[M]+ 470.02948 202.7
[M]- 470.03058 202.7
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.