CID 3769563

1171138-69-4

Structural Information

Molecular Formula
C12H15Cl2N
SMILES
C1CNCCC1CC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H15Cl2N/c13-11-2-1-10(8-12(11)14)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2
InChIKey
JROWTKYJKHIRGD-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorophenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

243.05815 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06543 152.5
[M+Na]+ 266.04737 159.4
[M-H]- 242.05087 154.6
[M+NH4]+ 261.09197 169.0
[M+K]+ 282.02131 152.4
[M+H-H2O]+ 226.05541 146.2
[M+HCOO]- 288.05635 160.5
[M+CH3COO]- 302.07200 162.9
[M+Na-2H]- 264.03282 155.3
[M]+ 243.05760 149.1
[M]- 243.05870 149.1
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