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: 54
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	144.2
[M+Na]+	239.97202	155.0
[M+NH4]+	235.01662	152.1
[M+K]+	255.94596	149.3
[M-H]-	215.97552	143.3
[M+Na-2H]-	237.95747	148.0
[M]+	216.98225	146.2
[M]-	216.98335	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe