CID 81143

6639-79-8

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=CC2=C(C=C1Cl)NC(=O)C(=O)N2
InChI
InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)
InChIKey
RNOLFZACEWWIHP-UHFFFAOYSA-N
Compound name
6-chloro-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

74
Patents

196.00395 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01123 133.9
[M+Na]+ 218.99317 146.5
[M-H]- 194.99667 134.0
[M+NH4]+ 214.03777 151.7
[M+K]+ 234.96711 140.0
[M+H-H2O]+ 179.00121 128.3
[M+HCOO]- 241.00215 149.2
[M+CH3COO]- 255.01780 147.2
[M+Na-2H]- 216.97862 142.4
[M]+ 196.00340 134.2
[M]- 196.00450 134.2
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.