CID 203071

13740-38-0

Structural Information

Molecular Formula

C₁₆H₁₆ClNO₂

SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H16ClNO2/c1-11-10-13(17)8-9-15(11)20-12(2)16(19)18-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)

InChIKey

QPWNBJYOBTUXBH-UHFFFAOYSA-N

Compound name

2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 289.08694 Da
Monoisotopic Mass: 4.4
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]+	290.094216	165.2
[M+Na]+	312.076158	172.5
[M-H]-	288.079664	171.9
[M+NH4]+	307.120763	181.3
[M+K]+	328.050098	167.8
[M+H-H2O]+	272.084200	158.2
[M+HCOO]-	334.085141	184.1
[M+CH3COO]-	348.100791	203.2
[M+Na-2H]-	310.061606	168.2
[M]+	289.08639142	168.2
[M]-	289.08748858	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe