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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.03194 170.0
[M+Na]+ 358.01388 178.2
[M-H]- 334.01738 173.0
[M+NH4]+ 353.05848 184.1
[M+K]+ 373.98782 172.2
[M+H-H2O]+ 318.02192 164.1
[M+HCOO]- 380.02286 173.3
[M+CH3COO]- 394.03851 206.7
[M+Na-2H]- 355.99933 169.0
[M]+ 335.02411 171.8
[M]- 335.02521 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.