CID 243216

2,2-dichloro-n-phenethylacetamide

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO

SMILES

C1=CC=C(C=C1)CCNC(=O)C(Cl)Cl

InChI

InChI=1S/C10H11Cl2NO/c11-9(12)10(14)13-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)

InChIKey

NXDSITABWUNLCU-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(2-phenylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 231.02177 Da
Monoisotopic Mass: 2.8
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]+	232.029046	147.6
[M+Na]+	254.010988	154.8
[M-H]-	230.014494	150.2
[M+NH4]+	249.055593	166.3
[M+K]+	269.984928	149.7
[M+H-H2O]+	214.019030	143.2
[M+HCOO]-	276.019971	161.7
[M+CH3COO]-	290.035621	189.8
[M+Na-2H]-	251.996436	151.8
[M]+	231.02122142	149.7
[M]-	231.02231858	149.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.