CID 81753647

1543222-76-9

Structural Information

Molecular Formula

C₈H₉F₃N₂O

SMILES

C1=CN=CC(=C1CN)OCC(F)(F)F

InChI

InChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-4-13-2-1-6(7)3-12/h1-2,4H,3,5,12H2

InChIKey

ZXLYVWQBTJMWEM-UHFFFAOYSA-N

Compound name

[3-(2,2,2-trifluoroethoxy)pyridin-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 206.0667 Da
Monoisotopic Mass: 0.8
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]+	207.07398	143.1
[M+Na]+	229.05592	151.5
[M+NH4]+	224.10052	148.2
[M+K]+	245.02986	146.9
[M-H]-	205.05942	139.9
[M+Na-2H]-	227.04137	147.3
[M]+	206.06615	143.0
[M]-	206.06725	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe