CID 72756505

Norfluoxetine alcohol

Structural Information

Molecular Formula

C₁₆H₁₅F₃O₂

SMILES

C1=CC=C(C=C1)C(CCO)OC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3O2/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2

InChIKey

WMLVVHKCLDWGLW-UHFFFAOYSA-N

Compound name

3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 296.10242 Da
Monoisotopic Mass: 3.8
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]+	297.109696	165.3
[M+Na]+	319.091638	171.9
[M-H]-	295.095144	166.4
[M+NH4]+	314.136243	179.5
[M+K]+	335.065578	167.2
[M+H-H2O]+	279.099680	155.4
[M+HCOO]-	341.100621	182.1
[M+CH3COO]-	355.116271	199.3
[M+Na-2H]-	317.077086	168.7
[M]+	296.10187142	161.9
[M]-	296.10296858	161.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.