CID 45789790

882500-21-2

Structural Information

Molecular Formula

C₆H₄BrF₃N₂

SMILES

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

InChI

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

InChIKey

DNDAEASRGBLZCN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 229
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	141.3
[M+Na]+	262.94022	154.5
[M-H]-	238.94372	142.8
[M+NH4]+	257.98482	161.1
[M+K]+	278.91416	142.4
[M+H-H2O]+	222.94826	138.6
[M+HCOO]-	284.94920	158.8
[M+CH3COO]-	298.96485	189.3
[M+Na-2H]-	260.92567	148.3
[M]+	239.95045	154.2
[M]-	239.95155	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe