CID 165604

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

Structural Information

Molecular Formula
C11H14Cl3O5P
SMILES
COP(=O)(OCCOC1=C(C=C(C=C1)Cl)Cl)OCCCl
InChI
InChI=1S/C11H14Cl3O5P/c1-16-20(15,18-5-4-12)19-7-6-17-11-3-2-9(13)8-10(11)14/h2-3,8H,4-7H2,1H3
InChIKey
GCUXFIQZKUSZLV-UHFFFAOYSA-N
Compound name
2-chloroethyl 2-(2,4-dichlorophenoxy)ethyl methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.96445 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.97173 167.8
[M+Na]+ 384.95367 177.5
[M-H]- 360.95717 169.6
[M+NH4]+ 379.99827 183.2
[M+K]+ 400.92761 173.3
[M+H-H2O]+ 344.96171 162.2
[M+HCOO]- 406.96265 181.7
[M+CH3COO]- 420.97830 209.3
[M+Na-2H]- 382.93912 169.9
[M]+ 361.96390 179.7
[M]- 361.96500 179.7
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.