CID 24212861

1-((2,4,6-trichlorophenoxy)acetyl)piperidine

Structural Information

Molecular Formula
C13H14Cl3NO2
SMILES
C1CCN(CC1)C(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H14Cl3NO2/c14-9-6-10(15)13(11(16)7-9)19-8-12(18)17-4-2-1-3-5-17/h6-7H,1-5,8H2
InChIKey
BLGIEOYYHRTOSH-UHFFFAOYSA-N
Compound name
1-piperidin-1-yl-2-(2,4,6-trichlorophenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.009 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.01628 165.9
[M+Na]+ 343.99822 173.6
[M-H]- 320.00172 168.7
[M+NH4]+ 339.04282 180.2
[M+K]+ 359.97216 167.8
[M+H-H2O]+ 304.00626 159.8
[M+HCOO]- 366.00720 169.5
[M+CH3COO]- 380.02285 202.7
[M+Na-2H]- 341.98367 166.0
[M]+ 321.00845 166.9
[M]- 321.00955 166.9
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.