CID 3337

Fenfluramine

Structural Information

Molecular Formula

C₁₂H₁₆F₃N

SMILES

CCNC(C)CC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3

InChIKey

DBGIVFWFUFKIQN-UHFFFAOYSA-N

Compound name

N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3639
References: 60068
Patents: 231.12349 Da
Monoisotopic Mass: 3.4
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]+	232.13077	155.0
[M+Na]+	254.11271	163.3
[M+NH4]+	249.15731	160.8
[M+K]+	270.08665	157.5
[M-H]-	230.11621	152.9
[M+Na-2H]-	252.09816	159.0
[M]+	231.12294	155.3
[M]-	231.12404	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe