CID 54758835

1214361-39-3

Structural Information

Molecular Formula

C₆H₄BrF₃N₂

SMILES

C1=CC(=NC(=C1Br)N)C(F)(F)F

InChI

InChI=1S/C6H4BrF3N2/c7-3-1-2-4(6(8,9)10)12-5(3)11/h1-2H,(H2,11,12)

InChIKey

PNTYGOBZCMESJG-UHFFFAOYSA-N

Compound name

3-bromo-6-(trifluoromethyl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 239.951 Da
Monoisotopic Mass: 2.1
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]+	240.95828	149.1
[M+Na]+	262.94022	150.3
[M+NH4]+	257.98482	151.7
[M+K]+	278.91416	150.6
[M-H]-	238.94372	145.6
[M+Na-2H]-	260.92567	150.5
[M]+	239.95045	147.0
[M]-	239.95155	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe