CID 165603

2-chloroethyl 2-(2,4-dichlorophenoxy)ethyl ethyl phosphate

Structural Information

Molecular Formula
C12H16Cl3O5P
SMILES
CCOP(=O)(OCCOC1=C(C=C(C=C1)Cl)Cl)OCCCl
InChI
InChI=1S/C12H16Cl3O5P/c1-2-18-21(16,19-6-5-13)20-8-7-17-12-4-3-10(14)9-11(12)15/h3-4,9H,2,5-8H2,1H3
InChIKey
CBXNLAMXWMNSQV-UHFFFAOYSA-N
Compound name
2-chloroethyl 2-(2,4-dichlorophenoxy)ethyl ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.9801 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.98738 172.5
[M+Na]+ 398.96932 181.7
[M-H]- 374.97282 174.1
[M+NH4]+ 394.01392 187.3
[M+K]+ 414.94326 177.3
[M+H-H2O]+ 358.97736 166.6
[M+HCOO]- 420.97830 186.0
[M+CH3COO]- 434.99395 212.1
[M+Na-2H]- 396.95477 174.0
[M]+ 375.97955 184.7
[M]- 375.98065 184.7
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.