CID 6320214

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

Structural Information

Molecular Formula
C11H8F2N2O3
SMILES
CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)F)F
InChI
InChI=1S/C11H8F2N2O3/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
OQIPQIAPBBVFDP-UHFFFAOYSA-N
Compound name
ethyl 6,7-difluoro-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

254.0503 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05758 150.3
[M+Na]+ 277.03952 161.8
[M-H]- 253.04302 149.2
[M+NH4]+ 272.08412 165.5
[M+K]+ 293.01346 157.4
[M+H-H2O]+ 237.04756 141.2
[M+HCOO]- 299.04850 167.7
[M+CH3COO]- 313.06415 192.6
[M+Na-2H]- 275.02497 155.0
[M]+ 254.04975 150.4
[M]- 254.05085 150.4
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