CID 17989049

6-(trifluoromethoxy)quinolin-4-amine

Structural Information

Molecular Formula

C₁₀H₇F₃N₂O

SMILES

C1=CC2=NC=CC(=C2C=C1OC(F)(F)F)N

InChI

InChI=1S/C10H7F3N2O/c11-10(12,13)16-6-1-2-9-7(5-6)8(14)3-4-15-9/h1-5H,(H2,14,15)

InChIKey

KDFPUZKVCMQYIU-UHFFFAOYSA-N

Compound name

6-(trifluoromethoxy)quinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 228.05104 Da
Monoisotopic Mass: 2.8
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]+	229.05832	145.4
[M+Na]+	251.04026	155.5
[M+NH4]+	246.08486	151.4
[M+K]+	267.01420	150.2
[M-H]-	227.04376	143.3
[M+Na-2H]-	249.02571	150.4
[M]+	228.05049	146.0
[M]-	228.05159	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe