CID 2169139

4-(2,4-dichlorophenoxy)-n-phenylbutanamide

Structural Information

Molecular Formula

C₁₆H₁₅Cl₂NO₂

SMILES

C1=CC=C(C=C1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H15Cl2NO2/c17-12-8-9-15(14(18)11-12)21-10-4-7-16(20)19-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)

InChIKey

HYCOHMJLZWBWEN-UHFFFAOYSA-N

Compound name

4-(2,4-dichlorophenoxy)-N-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 28
Patents: 323.04797 Da
Monoisotopic Mass: 4.8
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]+	324.055246	171.1
[M+Na]+	346.037188	179.1
[M-H]-	322.040694	176.8
[M+NH4]+	341.081793	186.3
[M+K]+	362.011128	172.5
[M+H-H2O]+	306.045230	164.6
[M+HCOO]-	368.046171	185.8
[M+CH3COO]-	382.061821	206.6
[M+Na-2H]-	344.022636	174.5
[M]+	323.04742142	176.0
[M]-	323.04851858	176.0

Literature stripe

literature stripe

Patent stripe

patents stripe