CID 25111024

Chembl475290

Structural Information

Molecular Formula
C15H8FN3O2
SMILES
C1=CC=C2C(=C1)N(C(=C([N+]2=O)C#N)C3=CC=C(C=C3)F)[O-]
InChI
InChI=1S/C15H8FN3O2/c16-11-7-5-10(6-8-11)15-14(9-17)18(20)12-3-1-2-4-13(12)19(15)21/h1-8H
InChIKey
SNFSATIGEYSINO-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

281.06006 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06734 165.9
[M+Na]+ 304.04928 178.3
[M-H]- 280.05278 167.3
[M+NH4]+ 299.09388 177.3
[M+K]+ 320.02322 166.1
[M+H-H2O]+ 264.05732 153.7
[M+HCOO]- 326.05826 181.5
[M+CH3COO]- 340.07391 202.4
[M+Na-2H]- 302.03473 172.2
[M]+ 281.05951 158.5
[M]- 281.06061 158.5
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.