CID 6320219

Ethyl 6,7-dibromo-3-oxo-4h-quinoxaline-2-carboxylate

Structural Information

Molecular Formula
C11H8Br2N2O3
SMILES
CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)Br)Br
InChI
InChI=1S/C11H8Br2N2O3/c1-2-18-11(17)9-10(16)15-8-4-6(13)5(12)3-7(8)14-9/h3-4H,2H2,1H3,(H,15,16)
InChIKey
ZAFFWAGKFUGBKJ-UHFFFAOYSA-N
Compound name
ethyl 6,7-dibromo-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

373.89017 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.89745 148.6
[M+Na]+ 396.87939 160.2
[M-H]- 372.88289 153.4
[M+NH4]+ 391.92399 163.8
[M+K]+ 412.85333 144.8
[M+H-H2O]+ 356.88743 156.1
[M+HCOO]- 418.88837 161.3
[M+CH3COO]- 432.90402 211.8
[M+Na-2H]- 394.86484 155.6
[M]+ 373.88962 184.3
[M]- 373.89072 184.3
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