CID 6445634

37913-88-5

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.976816	169.0
[M+Na]+	380.958758	178.6
[M-H]-	356.962264	170.8
[M+NH4]+	376.003363	184.6
[M+K]+	396.932698	173.3
[M+H-H2O]+	340.966800	163.7
[M+HCOO]-	402.967741	181.7
[M+CH3COO]-	416.983391	209.4
[M+Na-2H]-	378.944206	169.2
[M]+	357.96899142	178.7
[M]-	357.97008858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.