CID 4541

Norfluoxetine

Structural Information

Molecular Formula

C₁₆H₁₆F₃NO

SMILES

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

InChI

InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2

InChIKey

WIQRCHMSJFFONW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 294
References: 4195
Patents: 295.1184 Da
Monoisotopic Mass: 3.5
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]+	296.12568	166.1
[M+Na]+	318.10762	172.3
[M-H]-	294.11112	168.0
[M+NH4]+	313.15222	180.5
[M+K]+	334.08156	167.6
[M+H-H2O]+	278.11566	155.8
[M+HCOO]-	340.11660	184.6
[M+CH3COO]-	354.13225	204.1
[M+Na-2H]-	316.09307	169.3
[M]+	295.11785	161.4
[M]-	295.11895	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe