CID 120348

Phosphoric acid, 2-chloroethyl 2,4-dichlorophenyl methyl ester

Structural Information

Molecular Formula
C9H10Cl3O4P
SMILES
COP(=O)(OCCCl)OC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C9H10Cl3O4P/c1-14-17(13,15-3-2-10)16-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3
InChIKey
DYEBMIVWGBFRJZ-UHFFFAOYSA-N
Compound name
2-chloroethyl (3,5-dichlorophenyl) methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.93823 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.945506 157.1
[M+Na]+ 340.927448 167.6
[M-H]- 316.930954 159.1
[M+NH4]+ 335.972053 174.2
[M+K]+ 356.901388 163.2
[M+H-H2O]+ 300.935490 151.9
[M+HCOO]- 362.936431 171.3
[M+CH3COO]- 376.952081 201.6
[M+Na-2H]- 338.912896 159.8
[M]+ 317.93768142 166.8
[M]- 317.93877858 166.8
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.