CID 25111575

Chembl489290

Structural Information

Molecular Formula
C15H7F2N3O2
SMILES
C1=CC(=CC=C1C2=C(N(C3=C([N+]2=O)C=CC(=C3)F)[O-])C#N)F
InChI
InChI=1S/C15H7F2N3O2/c16-10-3-1-9(2-4-10)15-14(8-18)19(21)13-7-11(17)5-6-12(13)20(15)22/h1-7H
InChIKey
WVOUFENWNXMARZ-UHFFFAOYSA-N
Compound name
7-fluoro-3-(4-fluorophenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

299.05063 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05791 167.1
[M+Na]+ 322.03985 180.2
[M-H]- 298.04335 167.5
[M+NH4]+ 317.08445 178.0
[M+K]+ 338.01379 167.8
[M+H-H2O]+ 282.04789 154.1
[M+HCOO]- 344.04883 181.7
[M+CH3COO]- 358.06448 205.8
[M+Na-2H]- 320.02530 172.4
[M]+ 299.05008 159.1
[M]- 299.05118 159.1
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

No patent data available for this compound.