CID 135480779

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

Structural Information

Molecular Formula
C15H11F2N3O2
SMILES
CC1=[N+](C2=CC(=C(C=C2[N+](=C1NC3=CC=CC=C3)[O-])F)F)[O-]
InChI
InChI=1S/C15H11F2N3O2/c1-9-15(18-10-5-3-2-4-6-10)20(22)14-8-12(17)11(16)7-13(14)19(9)21/h2-8,18H,1H3
InChIKey
FTASXJUDXXBLSC-UHFFFAOYSA-N
Compound name
6,7-difluoro-3-methyl-1,4-dioxido-N-phenylquinoxaline-1,4-diium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.08194 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08922 167.1
[M+Na]+ 326.07116 176.3
[M-H]- 302.07466 167.9
[M+NH4]+ 321.11576 178.0
[M+K]+ 342.04510 160.4
[M+H-H2O]+ 286.07920 165.3
[M+HCOO]- 348.08014 184.5
[M+CH3COO]- 362.09579 191.2
[M+Na-2H]- 324.05661 175.6
[M]+ 303.08139 160.9
[M]- 303.08249 160.9
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

No patent data available for this compound.