CID 6320211

Methyl 6,7-dichloro-3-oxo-4h-quinoxaline-2-carboxylate

Structural Information

Molecular Formula
C10H6Cl2N2O3
SMILES
COC(=O)C1=NC2=CC(=C(C=C2NC1=O)Cl)Cl
InChI
InChI=1S/C10H6Cl2N2O3/c1-17-10(16)8-9(15)14-7-3-5(12)4(11)2-6(7)13-8/h2-3H,1H3,(H,14,15)
InChIKey
CQZVBBDKVGDSMQ-UHFFFAOYSA-N
Compound name
methyl 6,7-dichloro-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

271.97556 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.98284 148.8
[M+Na]+ 294.96478 161.6
[M-H]- 270.96828 149.8
[M+NH4]+ 290.00938 164.9
[M+K]+ 310.93872 155.8
[M+H-H2O]+ 254.97282 143.4
[M+HCOO]- 316.97376 159.1
[M+CH3COO]- 330.98941 192.5
[M+Na-2H]- 292.95023 154.4
[M]+ 271.97501 153.9
[M]- 271.97611 153.9
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