CID 8147

Bis(2-chloroethoxy)methane

Structural Information

Molecular Formula

C₅H₁₀Cl₂O₂

SMILES

C(CCl)OCOCCCl

InChI

InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2

InChIKey

NLXGURFLBLRZRO-UHFFFAOYSA-N

Compound name

1-chloro-2-(2-chloroethoxymethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 19
References: 5735
Patents: 172.00578 Da
Monoisotopic Mass: 1.2
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]+	173.01306	128.9
[M+Na]+	194.99500	141.0
[M+NH4]+	190.03960	137.5
[M+K]+	210.96894	134.0
[M-H]-	170.99850	128.4
[M+Na-2H]-	192.98045	133.7
[M]+	172.00523	130.9
[M]-	172.00633	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe