CID 3721046

6-cyano-7-nitroquinoxaline-2,3-dione

Structural Information

Molecular Formula
C9H4N4O4
SMILES
C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N
InChI
InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
InChIKey
RPXVIAFEQBNEAX-UHFFFAOYSA-N
Compound name
7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2732
References

2202
Patents

232.02325 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03053 150.8
[M+Na]+ 255.01247 162.0
[M-H]- 231.01597 150.2
[M+NH4]+ 250.05707 163.1
[M+K]+ 270.98641 153.1
[M+H-H2O]+ 215.02051 141.2
[M+HCOO]- 277.02145 167.4
[M+CH3COO]- 291.03710 191.2
[M+Na-2H]- 252.99792 158.4
[M]+ 232.02270 143.0
[M]- 232.02380 143.0
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