CID 4198552

2-chloro-n-cyclopropyl-2-phenylacetamide

Structural Information

Molecular Formula

C₁₁H₁₂ClNO

SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)Cl

InChI

InChI=1S/C11H12ClNO/c12-10(8-4-2-1-3-5-8)11(14)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14)

InChIKey

NWXIWIFEVYUKJT-UHFFFAOYSA-N

Compound name

2-chloro-N-cyclopropyl-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 209.06075 Da
Monoisotopic Mass: 2.4
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]+	210.06803	139.5
[M+Na]+	232.04997	147.5
[M-H]-	208.05347	146.5
[M+NH4]+	227.09457	153.8
[M+K]+	248.02391	143.2
[M+H-H2O]+	192.05801	133.5
[M+HCOO]-	254.05895	159.2
[M+CH3COO]-	268.07460	189.7
[M+Na-2H]-	230.03542	144.9
[M]+	209.06020	142.0
[M]-	209.06130	142.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.