CID 15897

Norfenfluramine

Structural Information

Molecular Formula

C₁₀H₁₂F₃N

SMILES

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

InChI

InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3

InChIKey

MLBHFBKZUPLWBD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 192
References: 1877
Patents: 203.09218 Da
Monoisotopic Mass: 2.5
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]+	204.099456	141.4
[M+Na]+	226.081398	148.9
[M-H]-	202.084904	140.7
[M+NH4]+	221.126003	160.1
[M+K]+	242.055338	145.9
[M+H-H2O]+	186.089440	133.3
[M+HCOO]-	248.090381	160.2
[M+CH3COO]-	262.106031	188.5
[M+Na-2H]-	224.066846	145.1
[M]+	203.09163142	135.4
[M]-	203.09272858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe