CID 3017018

N-(4-(2,4-dichlorophenoxy)phenyl)acetamide

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO₂

SMILES

CC(=O)NC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H11Cl2NO2/c1-9(18)17-11-3-5-12(6-4-11)19-14-7-2-10(15)8-13(14)16/h2-8H,1H3,(H,17,18)

InChIKey

DKGLREXAQONRLO-UHFFFAOYSA-N

Compound name

N-[4-(2,4-dichlorophenoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 295.0167 Da
Monoisotopic Mass: 4.0
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]+	296.02398	162.5
[M+Na]+	318.00592	178.4
[M+NH4]+	313.05052	171.4
[M+K]+	333.97986	169.7
[M-H]-	294.00942	167.3
[M+Na-2H]-	315.99137	171.7
[M]+	295.01615	166.8
[M]-	295.01725	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe