CID 5743866

84803-53-2

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO

SMILES

CC(=O)N(C1=CC=CC=C1)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C14H11Cl2NO/c1-10(18)17(11-6-3-2-4-7-11)14-12(15)8-5-9-13(14)16/h2-9H,1H3

InChIKey

WKSKHBFEWVRZEZ-UHFFFAOYSA-N

Compound name

N-(2,6-dichlorophenyl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 279.02176 Da
Monoisotopic Mass: 4.1
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]+	280.02904	158.7
[M+Na]+	302.01098	167.8
[M-H]-	278.01448	166.2
[M+NH4]+	297.05558	176.4
[M+K]+	317.98492	162.4
[M+H-H2O]+	262.01902	152.7
[M+HCOO]-	324.01996	174.4
[M+CH3COO]-	338.03561	202.1
[M+Na-2H]-	299.99643	162.4
[M]+	279.02121	162.8
[M]-	279.02231	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe