CID 63897167

1443979-86-9

Structural Information

Molecular Formula

C₁₂H₁₀F₃N

SMILES

C1=CC=C2C(=C1)C=CC=C2C(C(F)(F)F)N

InChI

InChI=1S/C12H10F3N/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,16H2

InChIKey

OOXZTNKNQVNTBV-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-naphthalen-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 225.07654 Da
Monoisotopic Mass: 3.2
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]+	226.08382	145.4
[M+Na]+	248.06576	153.5
[M-H]-	224.06926	145.6
[M+NH4]+	243.11036	164.1
[M+K]+	264.03970	149.1
[M+H-H2O]+	208.07380	136.9
[M+HCOO]-	270.07474	163.4
[M+CH3COO]-	284.09039	191.9
[M+Na-2H]-	246.05121	151.4
[M]+	225.07599	139.2
[M]-	225.07709	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe