CID 6320223

Schembl11258206

Structural Information

Molecular Formula
C11H8BrClN2O3
SMILES
CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)Cl)Br
InChI
InChI=1S/C11H8BrClN2O3/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
VHHFLIVSBISZQJ-UHFFFAOYSA-N
Compound name
ethyl 7-bromo-6-chloro-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

329.94067 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.94795 155.5
[M+Na]+ 352.92989 170.2
[M-H]- 328.93339 159.6
[M+NH4]+ 347.97449 172.6
[M+K]+ 368.90383 156.8
[M+H-H2O]+ 312.93793 155.4
[M+HCOO]- 374.93887 168.5
[M+CH3COO]- 388.95452 200.2
[M+Na-2H]- 350.91534 162.4
[M]+ 329.94012 178.2
[M]- 329.94122 178.2
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