CID 56027

Diethylamine, 2,2'-dichloro-n-ethoxy-

Structural Information

Molecular Formula

C₆H₁₃Cl₂NO

SMILES

CCON(CCCl)CCCl

InChI

InChI=1S/C6H13Cl2NO/c1-2-10-9(5-3-7)6-4-8/h2-6H2,1H3

InChIKey

DFRYTKZCIIDJME-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-chloroethyl)-N-ethoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.03741 Da
Monoisotopic Mass: 1.9
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]+	186.04469	137.6
[M+Na]+	208.02663	145.3
[M-H]-	184.03013	138.4
[M+NH4]+	203.07123	159.2
[M+K]+	224.00057	142.8
[M+H-H2O]+	168.03467	134.2
[M+HCOO]-	230.03561	153.5
[M+CH3COO]-	244.05126	186.1
[M+Na-2H]-	206.01208	142.9
[M]+	185.03686	143.4
[M]-	185.03796	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe