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]+	272.09673	161.2
[M+Na]+	294.07867	175.7
[M+NH4]+	289.12327	170.8
[M+K]+	310.05261	165.9
[M-H]-	270.08217	165.3
[M+Na-2H]-	292.06412	168.7
[M]+	271.08890	165.1
[M]-	271.09000	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe