CID 853962

2-(4-chloro-2-methylphenoxy)-2'-methylacetanilide

Structural Information

Molecular Formula

C₁₆H₁₆ClNO₂

SMILES

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C16H16ClNO2/c1-11-5-3-4-6-14(11)18-16(19)10-20-15-8-7-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)

InChIKey

DGTPGJUMJDSFNQ-UHFFFAOYSA-N

Compound name

2-(4-chloro-2-methylphenoxy)-N-(2-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.08694 Da
Monoisotopic Mass: 4.2
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	165.1
[M+Na]+	312.076158	173.6
[M-H]-	288.079664	172.1
[M+NH4]+	307.120763	181.6
[M+K]+	328.050098	168.5
[M+H-H2O]+	272.084200	158.3
[M+HCOO]-	334.085141	185.0
[M+CH3COO]-	348.100791	203.5
[M+Na-2H]-	310.061606	168.6
[M]+	289.08639142	169.2
[M]-	289.08748858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.