CID 118700

Butane, 1,1'-(methylenebis(oxy))bis(4-chloro-

Structural Information

Molecular Formula

C₉H₁₈Cl₂O₂

SMILES

C(CCCl)COCOCCCCCl

InChI

InChI=1S/C9H18Cl2O2/c10-5-1-3-7-12-9-13-8-4-2-6-11/h1-9H2

InChIKey

FXBWFEQWNNOOTF-UHFFFAOYSA-N

Compound name

1-chloro-4-(4-chlorobutoxymethoxy)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.06839 Da
Monoisotopic Mass: 2.6
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]+	229.07567	146.7
[M+Na]+	251.05761	158.0
[M+NH4]+	246.10221	154.7
[M+K]+	267.03155	150.0
[M-H]-	227.06111	146.1
[M+Na-2H]-	249.04306	150.5
[M]+	228.06784	148.6
[M]-	228.06894	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe