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

58
Patents

229.04251 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04979 147.9
[M+Na]+ 252.03173 155.3
[M-H]- 228.03523 150.3
[M+NH4]+ 247.07633 165.1
[M+K]+ 268.00567 148.6
[M+H-H2O]+ 212.03977 141.9
[M+HCOO]- 274.04071 156.4
[M+CH3COO]- 288.05636 158.8
[M+Na-2H]- 250.01718 151.3
[M]+ 229.04196 144.2
[M]- 229.04306 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