CID 82254492

Dtxsid301234659

Structural Information

Molecular Formula

C₁₅H₁₆ClNO

SMILES

C1=CC=C(C=C1)C(CCN)(C2=CC=CC=C2Cl)O

InChI

InChI=1S/C15H16ClNO/c16-14-9-5-4-8-13(14)15(18,10-11-17)12-6-2-1-3-7-12/h1-9,18H,10-11,17H2

InChIKey

RFCSOSSACJNSDT-UHFFFAOYSA-N

Compound name

3-amino-1-(2-chlorophenyl)-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 261.09204 Da
Monoisotopic Mass: 2.6
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]+	262.09932	159.4
[M+Na]+	284.08126	166.5
[M-H]-	260.08476	164.0
[M+NH4]+	279.12586	175.6
[M+K]+	300.05520	160.1
[M+H-H2O]+	244.08930	153.2
[M+HCOO]-	306.09024	176.4
[M+CH3COO]-	320.10589	194.0
[M+Na-2H]-	282.06671	165.2
[M]+	261.09149	158.8
[M]-	261.09259	158.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.