CID 3899541

Fg-9041

Structural Information

Molecular Formula
C8H4N4O6
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C(=O)N2
InChI
InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)
InChIKey
RWVIMCIPOAXUDG-UHFFFAOYSA-N
Compound name
6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

840
References

1127
Patents

252.01308 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02036 144.4
[M+Na]+ 275.00230 152.5
[M-H]- 251.00580 145.1
[M+NH4]+ 270.04690 156.3
[M+K]+ 290.97624 140.6
[M+H-H2O]+ 235.01034 146.0
[M+HCOO]- 297.01128 165.4
[M+CH3COO]- 311.02693 176.8
[M+Na-2H]- 272.98775 156.3
[M]+ 252.01253 139.9
[M]- 252.01363 139.9
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