CID 55980

Brn 1746144

Structural Information

Molecular Formula

C₆H₁₂Cl₃NO

SMILES

C(CCl)N(CCCl)OCCCl

InChI

InChI=1S/C6H12Cl3NO/c7-1-4-10(5-2-8)11-6-3-9/h1-6H2

InChIKey

TUEKZUDECSBZPZ-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-chloroethoxy)-N-(2-chloroethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.99844 Da
Monoisotopic Mass: 2.1
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]+	220.00572	143.9
[M+Na]+	241.98766	151.4
[M-H]-	217.99116	143.4
[M+NH4]+	237.03226	163.8
[M+K]+	257.96160	147.7
[M+H-H2O]+	201.99570	141.0
[M+HCOO]-	263.99664	154.2
[M+CH3COO]-	278.01229	191.5
[M+Na-2H]-	239.97311	147.9
[M]+	218.99789	149.3
[M]-	218.99899	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.