CID 2783085

71422-81-6

Structural Information

Molecular Formula

C₁₂H₉F₃N₂O

SMILES

C1=CC(=CC=C1N)OC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O/c13-12(14,15)8-1-6-11(17-7-8)18-10-4-2-9(16)3-5-10/h1-7H,16H2

InChIKey

LKVNUMLULPTKAU-UHFFFAOYSA-N

Compound name

4-[5-(trifluoromethyl)pyridin-2-yl]oxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 254.0667 Da
Monoisotopic Mass: 2.3
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]+	255.07398	152.2
[M+Na]+	277.05592	161.4
[M-H]-	253.05942	153.7
[M+NH4]+	272.10052	167.3
[M+K]+	293.02986	156.8
[M+H-H2O]+	237.06396	141.8
[M+HCOO]-	299.06490	171.7
[M+CH3COO]-	313.08055	195.1
[M+Na-2H]-	275.04137	158.2
[M]+	254.06615	147.6
[M]-	254.06725	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe