CID 67356680

1206524-20-0

Structural Information

Molecular Formula

C₆H₄BrF₃N₂

SMILES

C1=CN=C(C(=N1)CBr)C(F)(F)F

InChI

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

InChIKey

PDJAQWQRBJDVNK-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-3-(trifluoromethyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 239.951 Da
Monoisotopic Mass: 1.3
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]+	240.958276	140.1
[M+Na]+	262.940218	153.5
[M-H]-	238.943724	140.6
[M+NH4]+	257.984823	159.1
[M+K]+	278.914158	142.0
[M+H-H2O]+	222.948260	137.5
[M+HCOO]-	284.949201	156.2
[M+CH3COO]-	298.964851	187.1
[M+Na-2H]-	260.925666	148.8
[M]+	239.95045142	155.1
[M]-	239.95154858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe