CID 135436590

(6,7-difluoro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-(4-fluoro-phenyl)-amine

Structural Information

Molecular Formula
C15H10F3N3O2
SMILES
CC1=[N+](C2=CC(=C(C=C2[N+](=C1NC3=CC=C(C=C3)F)[O-])F)F)[O-]
InChI
InChI=1S/C15H10F3N3O2/c1-8-15(19-10-4-2-9(16)3-5-10)21(23)14-7-12(18)11(17)6-13(14)20(8)22/h2-7,19H,1H3
InChIKey
IMIDPBQHLAFCRV-UHFFFAOYSA-N
Compound name
6,7-difluoro-N-(4-fluorophenyl)-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.0725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07978 169.9
[M+Na]+ 344.06172 180.0
[M-H]- 320.06522 169.8
[M+NH4]+ 339.10632 180.4
[M+K]+ 360.03566 163.8
[M+H-H2O]+ 304.06976 167.4
[M+HCOO]- 366.07070 186.3
[M+CH3COO]- 380.08635 195.0
[M+Na-2H]- 342.04717 177.3
[M]+ 321.07195 163.1
[M]- 321.07305 163.1
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.