CID 71307621

Methyl 6-bromo-3-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C6H4BrClN2O2
SMILES
COC(=O)C1=NC(=CN=C1Cl)Br
InChI
InChI=1S/C6H4BrClN2O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3
InChIKey
ZDLDHAIWCZRNOT-UHFFFAOYSA-N
Compound name
methyl 6-bromo-3-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

249.91447 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92175 134.3
[M+Na]+ 272.90369 148.8
[M-H]- 248.90719 138.8
[M+NH4]+ 267.94829 154.0
[M+K]+ 288.87763 137.3
[M+H-H2O]+ 232.91173 134.5
[M+HCOO]- 294.91267 150.3
[M+CH3COO]- 308.92832 187.3
[M+Na-2H]- 270.88914 142.7
[M]+ 249.91392 156.7
[M]- 249.91502 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe