CID 45480449

Methyl 3,6-dibromopyrazine-2-carboxylate

Structural Information

Molecular Formula

C₆H₄Br₂N₂O₂

SMILES

COC(=O)C1=NC(=CN=C1Br)Br

InChI

InChI=1S/C6H4Br2N2O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3

InChIKey

OHKYQPNNVGHVOT-UHFFFAOYSA-N

Compound name

methyl 3,6-dibromopyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 293.86395 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]+	294.87123	144.5
[M+Na]+	316.85317	139.9
[M+NH4]+	311.89777	145.7
[M+K]+	332.82711	147.0
[M-H]-	292.85667	144.2
[M+Na-2H]-	314.83862	146.0
[M]+	293.86340	142.6
[M]-	293.86450	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe