CID 93482

Clomeprop

Structural Information

Molecular Formula

C₁₆H₁₅Cl₂NO₂

SMILES

CC1=C(C=CC(=C1Cl)OC(C)C(=O)NC2=CC=CC=C2)Cl

InChI

InChI=1S/C16H15Cl2NO2/c1-10-13(17)8-9-14(15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)

InChIKey

BDQWWOHKFDSADC-UHFFFAOYSA-N

Compound name

2-(2,4-dichloro-3-methylphenoxy)-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 19305
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]+	324.05525	171.5
[M+Na]+	346.03719	186.6
[M+NH4]+	341.08179	180.0
[M+K]+	362.01113	178.2
[M-H]-	322.04069	176.1
[M+Na-2H]-	344.02264	179.9
[M]+	323.04742	175.6
[M]-	323.04852	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe