CID 264247

16723-94-7

Structural Information

Molecular Formula

C₁₄H₁₂Cl₂O₂

SMILES

C1=CC(=CC=C1OCCOC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H12Cl2O2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2

InChIKey

KXCSYFARFKNDBV-UHFFFAOYSA-N

Compound name

1-chloro-4-[2-(4-chlorophenoxy)ethoxy]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 558
Patents: 282.02142 Da
Monoisotopic Mass: 5.1
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]+	283.02870	158.7
[M+Na]+	305.01064	175.8
[M+NH4]+	300.05524	168.6
[M+K]+	320.98458	165.9
[M-H]-	281.01414	163.8
[M+Na-2H]-	302.99609	169.1
[M]+	282.02087	163.5
[M]-	282.02197	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe