CID 2735957

3-amino-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula

C₆H₅F₃N₂

SMILES

C1=CN=CC(=C1C(F)(F)F)N

InChI

InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-11-3-5(4)10/h1-3H,10H2

InChIKey

DROFUWWORPKKSI-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 234
Patents: 162.04048 Da
Monoisotopic Mass: 1.1
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]+	163.04776	131.8
[M+Na]+	185.02970	141.0
[M+NH4]+	180.07430	137.7
[M+K]+	201.00364	136.3
[M-H]-	161.03320	129.1
[M+Na-2H]-	183.01515	136.9
[M]+	162.03993	132.0
[M]-	162.04103	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe