CID 87761

Ethane, 1,1',1''-[methylidynetris(oxy)]tris[2-chloro-

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: 59
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	146.7
[M+Na]+	272.98225	154.3
[M-H]-	248.98575	145.2
[M+NH4]+	268.02685	165.2
[M+K]+	288.95619	150.7
[M+H-H2O]+	232.99029	144.3
[M+HCOO]-	294.99123	155.1
[M+CH3COO]-	309.00688	190.9
[M+Na-2H]-	270.96770	150.1
[M]+	249.99248	154.4
[M]-	249.99358	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe