CID 78871

5197-62-6

Structural Information

Molecular Formula

C₆H₁₃ClO₃

SMILES

C(COCCOCCCl)O

InChI

InChI=1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2

InChIKey

KECMLGZOQMJIBM-UHFFFAOYSA-N

Compound name

2-[2-(2-chloroethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1784
Patents: 168.05533 Da
Monoisotopic Mass: -0.3
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]+	169.06261	132.9
[M+Na]+	191.04455	140.4
[M-H]-	167.04805	131.5
[M+NH4]+	186.08915	153.7
[M+K]+	207.01849	138.5
[M+H-H2O]+	151.05259	129.2
[M+HCOO]-	213.05353	151.4
[M+CH3COO]-	227.06918	174.3
[M+Na-2H]-	189.03000	139.1
[M]+	168.05478	138.4
[M]-	168.05588	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe