CID 24212863

853333-67-2

Structural Information

Molecular Formula

C₁₄H₁₆Cl₃NO₂

SMILES

CC1CCN(CC1)C(=O)COC2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C14H16Cl3NO2/c1-9-2-4-18(5-3-9)13(19)8-20-14-11(16)6-10(15)7-12(14)17/h6-7,9H,2-5,8H2,1H3

InChIKey

YCAOTWRDUOUQRW-UHFFFAOYSA-N

Compound name

1-(4-methylpiperidin-1-yl)-2-(2,4,6-trichlorophenoxy)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.02466 Da
Monoisotopic Mass: 4.6
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]+	336.031936	170.0
[M+Na]+	358.013878	178.2
[M-H]-	334.017384	173.0
[M+NH4]+	353.058483	184.1
[M+K]+	373.987818	172.2
[M+H-H2O]+	318.021920	164.1
[M+HCOO]-	380.022861	173.3
[M+CH3COO]-	394.038511	206.7
[M+Na-2H]-	355.999326	169.0
[M]+	335.02411142	171.8
[M]-	335.02520858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.