CID 70202

2,2-dichloro-n,n-diethylacetamide

Structural Information

Molecular Formula

C₆H₁₁Cl₂NO

SMILES

CCN(CC)C(=O)C(Cl)Cl

InChI

InChI=1S/C6H11Cl2NO/c1-3-9(4-2)6(10)5(7)8/h5H,3-4H2,1-2H3

InChIKey

ZZWJQCJQAXZVOM-UHFFFAOYSA-N

Compound name

2,2-dichloro-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 183.02177 Da
Monoisotopic Mass: 1.8
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]+	184.029046	136.2
[M+Na]+	206.010988	143.8
[M-H]-	182.014494	137.4
[M+NH4]+	201.055593	157.8
[M+K]+	221.984928	141.7
[M+H-H2O]+	166.019030	133.2
[M+HCOO]-	228.019971	150.5
[M+CH3COO]-	242.035621	186.2
[M+Na-2H]-	203.996436	139.2
[M]+	183.02122142	140.1
[M]-	183.02231858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe