CID 40424034

4-(3,5-dichlorophenyl)piperidine

Structural Information

Molecular Formula
C11H13Cl2N
SMILES
C1CNCCC1C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C11H13Cl2N/c12-10-5-9(6-11(13)7-10)8-1-3-14-4-2-8/h5-8,14H,1-4H2
InChIKey
SDAZCHLLTBVGCL-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

229.04251 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.049786 147.9
[M+Na]+ 252.031728 155.3
[M-H]- 228.035234 150.3
[M+NH4]+ 247.076333 165.1
[M+K]+ 268.005668 148.6
[M+H-H2O]+ 212.039770 141.9
[M+HCOO]- 274.040711 156.4
[M+CH3COO]- 288.056361 158.8
[M+Na-2H]- 250.017176 151.3
[M]+ 229.04196142 144.2
[M]- 229.04305858 144.2
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

patents stripe