CID 104037065

1566229-02-4

Structural Information

Molecular Formula

C₈H₉F₃N₂O

SMILES

CC(C(F)(F)F)OC1=CC(=NC=C1)N

InChI

InChI=1S/C8H9F3N2O/c1-5(8(9,10)11)14-6-2-3-13-7(12)4-6/h2-5H,1H3,(H2,12,13)

InChIKey

ADOXWNWNWJTEFW-UHFFFAOYSA-N

Compound name

4-(1,1,1-trifluoropropan-2-yloxy)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 206.0667 Da
Monoisotopic Mass: 2.0
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]+	207.07398	143.3
[M+Na]+	229.05592	151.3
[M+NH4]+	224.10052	148.3
[M+K]+	245.02986	147.5
[M-H]-	205.05942	139.9
[M+Na-2H]-	227.04137	147.2
[M]+	206.06615	143.1
[M]-	206.06725	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe