CID 6320225

Ethyl 5,8-dichloro-6-nitro-3-oxo-4h-quinoxaline-2-carboxylate

Structural Information

Molecular Formula
C11H7Cl2N3O5
SMILES
CCOC(=O)C1=NC2=C(C=C(C(=C2NC1=O)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H7Cl2N3O5/c1-2-21-11(18)9-10(17)15-8-6(13)5(16(19)20)3-4(12)7(8)14-9/h3H,2H2,1H3,(H,15,17)
InChIKey
OQFDMUWJAXDJDK-UHFFFAOYSA-N
Compound name
ethyl 5,8-dichloro-6-nitro-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.9763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.98358 162.6
[M+Na]+ 353.96552 173.0
[M-H]- 329.96902 163.3
[M+NH4]+ 349.01012 175.0
[M+K]+ 369.93946 164.1
[M+H-H2O]+ 313.97356 161.5
[M+HCOO]- 375.97450 173.4
[M+CH3COO]- 389.99015 197.7
[M+Na-2H]- 351.95097 168.6
[M]+ 330.97575 167.0
[M]- 330.97685 167.0
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

No patent data available for this compound.