CID 87761

18719-58-9

Structural Information

Molecular Formula

C₇H₁₃Cl₃O₃

SMILES

C(CCl)OC(OCCCl)OCCCl

InChI

InChI=1S/C7H13Cl3O3/c8-1-4-11-7(12-5-2-9)13-6-3-10/h7H,1-6H2

InChIKey

RKHRVKJTCSHZCR-UHFFFAOYSA-N

Compound name

1-[bis(2-chloroethoxy)methoxy]-2-chloroethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 57
Patents: 249.99303 Da
Monoisotopic Mass: 1.8
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]+	251.00031	146.6
[M+Na]+	272.98225	157.6
[M+NH4]+	268.02685	154.0
[M+K]+	288.95619	151.0
[M-H]-	248.98575	145.0
[M+Na-2H]-	270.96770	149.9
[M]+	249.99248	148.3
[M]-	249.99358	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe