CID 822839

6,7-difluoroquinoxaline-2,3(1h,4h)-dione

Structural Information

Molecular Formula
C8H4F2N2O2
SMILES
C1=C2C(=CC(=C1F)F)NC(=O)C(=O)N2
InChI
InChI=1S/C8H4F2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
InChIKey
KFUMSIBOUBHLIJ-UHFFFAOYSA-N
Compound name
6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

198.02408 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03136 134.3
[M+Na]+ 221.01330 147.1
[M-H]- 197.01680 132.2
[M+NH4]+ 216.05790 151.3
[M+K]+ 236.98724 141.4
[M+H-H2O]+ 181.02134 126.2
[M+HCOO]- 243.02228 152.0
[M+CH3COO]- 257.03793 178.8
[M+Na-2H]- 218.99875 141.2
[M]+ 198.02353 130.8
[M]- 198.02463 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe