CID 6320215

Schembl11364390

Structural Information

Molecular Formula
C12H10Cl2N2O3
SMILES
CC(C)OC(=O)C1=NC2=CC(=C(C=C2NC1=O)Cl)Cl
InChI
InChI=1S/C12H10Cl2N2O3/c1-5(2)19-12(18)10-11(17)16-9-4-7(14)6(13)3-8(9)15-10/h3-5H,1-2H3,(H,16,17)
InChIKey
ZKCOOIBVXUQCIH-UHFFFAOYSA-N
Compound name
propan-2-yl 6,7-dichloro-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

300.00684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.01412 157.0
[M+Na]+ 322.99606 168.6
[M-H]- 298.99956 157.8
[M+NH4]+ 318.04066 171.8
[M+K]+ 338.97000 162.9
[M+H-H2O]+ 283.00410 151.4
[M+HCOO]- 345.00504 165.7
[M+CH3COO]- 359.02069 199.3
[M+Na-2H]- 320.98151 160.4
[M]+ 300.00629 162.3
[M]- 300.00739 162.3
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.