CID 482647

6,7-difluoro-3-methyl-2-phenylthioquinoxaline-1,4-dioxide

Structural Information

Molecular Formula
C15H10F2N2O2S
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)SC3=CC=CC=C3
InChI
InChI=1S/C15H10F2N2O2S/c1-9-15(22-10-5-3-2-4-6-10)19(21)14-8-12(17)11(16)7-13(14)18(9)20/h2-8H,1H3
InChIKey
VHPRXPAMWLQCQS-UHFFFAOYSA-N
Compound name
6,7-difluoro-3-methyl-4-oxido-2-phenylsulfanylquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.0431 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05038 166.4
[M+Na]+ 343.03232 178.3
[M-H]- 319.03582 168.8
[M+NH4]+ 338.07692 179.1
[M+K]+ 359.00626 166.3
[M+H-H2O]+ 303.04036 160.7
[M+HCOO]- 365.04130 179.8
[M+CH3COO]- 379.05695 197.7
[M+Na-2H]- 341.01777 170.5
[M]+ 320.04255 165.8
[M]- 320.04365 165.8
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.