CID 17071

2,2,2-trichloro-n,n-diethylacetamide

Structural Information

Molecular Formula

C₆H₁₀Cl₃NO

SMILES

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

InChI

InChI=1S/C6H10Cl3NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3

InChIKey

OIWFZENWZGPLQZ-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 216.9828 Da
Monoisotopic Mass: 2.3
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]+	217.99008	142.8
[M+Na]+	239.97202	151.0
[M-H]-	215.97552	143.2
[M+NH4]+	235.01662	163.0
[M+K]+	255.94596	147.5
[M+H-H2O]+	199.98006	140.8
[M+HCOO]-	261.98100	151.1
[M+CH3COO]-	275.99665	190.4
[M+Na-2H]-	237.95747	146.4
[M]+	216.98225	146.5
[M]-	216.98335	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe