CID 94918

2-chloro-n-ethyl-n-phenylacetamide

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

CCN(C1=CC=CC=C1)C(=O)CCl

InChI

InChI=1S/C10H12ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

JJZBASRBEGDLNO-UHFFFAOYSA-N

Compound name

2-chloro-N-ethyl-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 197.06075 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]+	198.06803	141.1
[M+Na]+	220.04997	153.9
[M+NH4]+	215.09457	150.2
[M+K]+	236.02391	146.8
[M-H]-	196.05347	144.1
[M+Na-2H]-	218.03542	148.8
[M]+	197.06020	144.0
[M]-	197.06130	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe