CID 170577

1-(2-chloroethoxy)-2-ethoxyethane

Structural Information

Molecular Formula

C₆H₁₃ClO₂

SMILES

CCOCCOCCCl

InChI

InChI=1S/C6H13ClO2/c1-2-8-5-6-9-4-3-7/h2-6H2,1H3

InChIKey

NDDRUUNXMMRCIV-UHFFFAOYSA-N

Compound name

1-(2-chloroethoxy)-2-ethoxyethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 55
Patents: 152.06041 Da
Monoisotopic Mass: 0.8
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]+	153.06769	129.8
[M+Na]+	175.04963	137.8
[M-H]-	151.05313	130.0
[M+NH4]+	170.09423	152.1
[M+K]+	191.02357	136.4
[M+H-H2O]+	135.05767	126.2
[M+HCOO]-	197.05861	149.6
[M+CH3COO]-	211.07426	175.1
[M+Na-2H]-	173.03508	136.6
[M]+	152.05986	135.8
[M]-	152.06096	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe