CID 6445634

2-chloro-1-(3,4-dichlorophenyl)ethenyl diethyl phosphate

Structural Information

Molecular Formula
C12H14Cl3O4P
SMILES
CCOP(=O)(OCC)O/C(=C/Cl)/C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)9-5-6-10(14)11(15)7-9/h5-8H,3-4H2,1-2H3/b12-8+
InChIKey
YHJIFYWHTFZTHE-XYOKQWHBSA-N
Compound name
[(E)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.96954 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.97682 169.0
[M+Na]+ 380.95876 178.6
[M-H]- 356.96226 170.8
[M+NH4]+ 376.00336 184.6
[M+K]+ 396.93270 173.3
[M+H-H2O]+ 340.96680 163.7
[M+HCOO]- 402.96774 181.7
[M+CH3COO]- 416.98339 209.4
[M+Na-2H]- 378.94421 169.2
[M]+ 357.96899 178.7
[M]- 357.97009 178.7
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.