CID 118991801

2-bromo-5-(bromomethyl)pyrazine

Structural Information

Molecular Formula

C₅H₄Br₂N₂

SMILES

C1=C(N=CC(=N1)Br)CBr

InChI

InChI=1S/C5H4Br2N2/c6-1-4-2-9-5(7)3-8-4/h2-3H,1H2

InChIKey

OIUHGRNWMIPDEV-UHFFFAOYSA-N

Compound name

2-bromo-5-(bromomethyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 249.87411 Da
Monoisotopic Mass: 1.4
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]+	250.88139	139.1
[M+Na]+	272.86333	135.1
[M+NH4]+	267.90793	141.3
[M+K]+	288.83727	141.2
[M-H]-	248.86683	139.5
[M+Na-2H]-	270.84878	141.7
[M]+	249.87356	137.6
[M]-	249.87466	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe