CID 3059026

76000-02-7

Structural Information

Molecular Formula

C₁₄H₁₉Cl₂N

SMILES

C1CNCCC1CCCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H19Cl2N/c15-13-5-4-12(10-14(13)16)3-1-2-11-6-8-17-9-7-11/h4-5,10-11,17H,1-3,6-9H2

InChIKey

KCCRFKZBRRHNOA-UHFFFAOYSA-N

Compound name

4-[3-(3,4-dichlorophenyl)propyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 271.08945 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.096726	161.4
[M+Na]+	294.078668	167.5
[M-H]-	270.082174	163.3
[M+NH4]+	289.123273	176.9
[M+K]+	310.052608	160.1
[M+H-H2O]+	254.086710	154.7
[M+HCOO]-	316.087651	168.9
[M+CH3COO]-	330.103301	193.6
[M+Na-2H]-	292.064116	163.2
[M]+	271.08890142	158.7
[M]-	271.08999858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe