CID 214111

Dtxsid20950412

Structural Information

Molecular Formula

C₁₀H₉Cl₄O₄P

SMILES

COP(=O)(OC)OC(=C(Cl)Cl)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-9(10(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3

InChIKey

HKVABTLWYHNNBA-UHFFFAOYSA-N

Compound name

[2,2-dichloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 363.89926 Da
Monoisotopic Mass: 4.3
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]+	364.906536	162.7
[M+Na]+	386.888478	172.3
[M-H]-	362.891984	163.7
[M+NH4]+	381.933083	177.6
[M+K]+	402.862418	167.7
[M+H-H2O]+	346.896520	158.7
[M+HCOO]-	408.897461	169.6
[M+CH3COO]-	422.913111	209.8
[M+Na-2H]-	384.873926	162.0
[M]+	363.89871142	170.2
[M]-	363.89980858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe