CID 3064310

102071-30-7

Structural Information

Molecular Formula

C₁₈H₂₀ClNO

SMILES

C1CCNC(C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C18H20ClNO/c19-16-11-9-15(10-12-16)18(21,14-6-2-1-3-7-14)17-8-4-5-13-20-17/h1-3,6-7,9-12,17,20-21H,4-5,8,13H2

InChIKey

XMOLPHXJRQYPQY-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.12335 Da
Monoisotopic Mass: 3.7
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]+	302.130626	170.5
[M+Na]+	324.112568	174.8
[M-H]-	300.116074	174.7
[M+NH4]+	319.157173	182.7
[M+K]+	340.086508	167.2
[M+H-H2O]+	284.120610	162.1
[M+HCOO]-	346.121551	180.1
[M+CH3COO]-	360.137201	179.1
[M+Na-2H]-	322.098016	174.5
[M]+	301.12280142	164.4
[M]-	301.12389858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.