CID 516711

2-(cyclohexa-2,4-dienesulfonyl)-6,7-difluoro-3-methyl-quinoxaline 1,4-dioxide

Structural Information

Molecular Formula
C15H12F2N2O4S
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)S(=O)(=O)C3CC=CC=C3
InChI
InChI=1S/C15H12F2N2O4S/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/h2-5,7-8,10H,6H2,1H3
InChIKey
LTPJKOLFDLYKRB-UHFFFAOYSA-N
Compound name
2-cyclohexa-2,4-dien-1-ylsulfonyl-6,7-difluoro-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.04858 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05586 175.3
[M+Na]+ 377.03780 186.2
[M-H]- 353.04130 177.5
[M+NH4]+ 372.08240 186.2
[M+K]+ 393.01174 175.1
[M+H-H2O]+ 337.04584 169.9
[M+HCOO]- 399.04678 186.3
[M+CH3COO]- 413.06243 200.9
[M+Na-2H]- 375.02325 180.3
[M]+ 354.04803 174.0
[M]- 354.04913 174.0
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.