CID 3140

114828-89-6

Structural Information

Molecular Formula
C8H2N4O6
SMILES
C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H
InChIKey
YEUPBRRGMWBCEB-UHFFFAOYSA-N
Compound name
6,7-dinitroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

974
References

1010
Patents

249.99744 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00472 145.2
[M+Na]+ 272.98666 154.2
[M-H]- 248.99016 148.5
[M+NH4]+ 268.03126 158.5
[M+K]+ 288.96060 143.9
[M+H-H2O]+ 232.99470 146.3
[M+HCOO]- 294.99564 169.1
[M+CH3COO]- 309.01129 182.1
[M+Na-2H]- 270.97211 157.8
[M]+ 249.99689 144.1
[M]- 249.99799 144.1
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