CID 6320217

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

Structural Information

Molecular Formula
C12H8Cl2N2O3
SMILES
C=CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)Cl)Cl
InChI
InChI=1S/C12H8Cl2N2O3/c1-2-3-19-12(18)10-11(17)16-9-5-7(14)6(13)4-8(9)15-10/h2,4-5H,1,3H2,(H,16,17)
InChIKey
LEFCDHDNGRYMRB-UHFFFAOYSA-N
Compound name
prop-2-enyl 6,7-dichloro-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9912 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99848 157.1
[M+Na]+ 320.98042 169.3
[M-H]- 296.98392 157.8
[M+NH4]+ 316.02502 172.0
[M+K]+ 336.95436 162.5
[M+H-H2O]+ 280.98846 151.3
[M+HCOO]- 342.98940 166.9
[M+CH3COO]- 357.00505 197.6
[M+Na-2H]- 318.96587 161.6
[M]+ 297.99065 162.2
[M]- 297.99175 162.2
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

No patent data available for this compound.