CID 61187

638-56-2

Structural Information

Molecular Formula

C₈H₁₆Cl₂O₃

SMILES

C(COCCCl)OCCOCCCl

InChI

InChI=1S/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2

InChIKey

ZCFRYTWBXNQVOW-UHFFFAOYSA-N

Compound name

1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethoxy]ethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 644
Patents: 230.04765 Da
Monoisotopic Mass: 1.0
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]+	231.05493	144.8
[M+Na]+	253.03687	155.8
[M+NH4]+	248.08147	152.4
[M+K]+	269.01081	148.6
[M-H]-	229.04037	143.6
[M+Na-2H]-	251.02232	148.4
[M]+	230.04710	146.4
[M]-	230.04820	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe