CID 8171

1,2-bis(2-chloroethoxy)ethane

Structural Information

Molecular Formula

C₆H₁₂Cl₂O₂

SMILES

C(COCCCl)OCCCl

InChI

InChI=1S/C6H12Cl2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2

InChIKey

AGYUOJIYYGGHKV-UHFFFAOYSA-N

Compound name

1,2-bis(2-chloroethoxy)ethane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 1227
Patents: 186.02144 Da
Monoisotopic Mass: 1.1
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]+	187.02872	135.0
[M+Na]+	209.01066	143.3
[M-H]-	185.01416	134.5
[M+NH4]+	204.05526	156.2
[M+K]+	224.98460	140.2
[M+H-H2O]+	169.01870	132.1
[M+HCOO]-	231.01964	149.7
[M+CH3COO]-	245.03529	180.0
[M+Na-2H]-	206.99611	141.0
[M]+	186.02089	141.6
[M]-	186.02199	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe