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

12
Patents

249.91447 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.921746 134.3
[M+Na]+ 272.903688 148.8
[M-H]- 248.907194 138.8
[M+NH4]+ 267.948293 154.0
[M+K]+ 288.877628 137.3
[M+H-H2O]+ 232.911730 134.5
[M+HCOO]- 294.912671 150.3
[M+CH3COO]- 308.928321 187.3
[M+Na-2H]- 270.889136 142.7
[M]+ 249.91392142 156.7
[M]- 249.91501858 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