CID 45790047

6-(trifluoromethoxy)pyridin-3-amine

Structural Information

Molecular Formula

C₆H₅F₃N₂O

SMILES

C1=CC(=NC=C1N)OC(F)(F)F

InChI

InChI=1S/C6H5F3N2O/c7-6(8,9)12-5-2-1-4(10)3-11-5/h1-3H,10H2

InChIKey

HYBWXJYCVPLEPI-UHFFFAOYSA-N

Compound name

6-(trifluoromethoxy)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 178.0354 Da
Monoisotopic Mass: 1.7
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]+	179.04268	134.7
[M+Na]+	201.02462	143.4
[M+NH4]+	196.06922	140.1
[M+K]+	216.99856	139.3
[M-H]-	177.02812	131.5
[M+Na-2H]-	199.01007	139.4
[M]+	178.03485	134.6
[M]-	178.03595	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe