CID 205583

Brn 2510446

Structural Information

Molecular Formula

C₁₀H₉Cl₆O₃P

SMILES

C1=CC=C(C=C1)P(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C10H9Cl6O3P/c11-9(12,13)6-18-20(17,19-7-10(14,15)16)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

XOYBZBPRFHXGFZ-UHFFFAOYSA-N

Compound name

bis(2,2,2-trichloroethoxy)phosphorylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 417.84204 Da
Monoisotopic Mass: 4.7
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]+	418.84932	193.7
[M+Na]+	440.83126	203.7
[M+NH4]+	435.87586	198.6
[M+K]+	456.80520	196.8
[M-H]-	416.83476	191.1
[M+Na-2H]-	438.81671	196.3
[M]+	417.84149	195.7
[M]-	417.84259	195.7

Literature stripe

literature stripe

Patent stripe

patents stripe