CID 482661

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

Structural Information

Molecular Formula
C15H10F2N2O4S
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H10F2N2O4S/c1-9-15(24(22,23)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
RYXJHZVQQTZNRI-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-6,7-difluoro-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

352.03293 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.04021 174.5
[M+Na]+ 375.02215 186.4
[M-H]- 351.02565 177.1
[M+NH4]+ 370.06675 185.5
[M+K]+ 390.99609 175.0
[M+H-H2O]+ 335.03019 169.0
[M+HCOO]- 397.03113 186.8
[M+CH3COO]- 411.04678 200.5
[M+Na-2H]- 373.00760 180.3
[M]+ 352.03238 174.5
[M]- 352.03348 174.5
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.