CID 59254839

Methyl 6-bromo-5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula

C₆H₄BrClN₂O₂

SMILES

COC(=O)C1=CN=C(C(=N1)Br)Cl

InChI

InChI=1S/C6H4BrClN2O2/c1-12-6(11)3-2-9-5(8)4(7)10-3/h2H,1H3

InChIKey

PMNRFTVMUXRTFN-UHFFFAOYSA-N

Compound name

methyl 6-bromo-5-chloropyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 249.91447 Da
Monoisotopic Mass: 2.0
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]+	250.92175	140.0
[M+Na]+	272.90369	144.7
[M+NH4]+	267.94829	144.0
[M+K]+	288.87763	145.1
[M-H]-	248.90719	139.0
[M+Na-2H]-	270.88914	143.5
[M]+	249.91392	139.4
[M]-	249.91502	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe