CID 516712

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

Structural Information

Molecular Formula
C15H11F3N2O4S
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)S(=O)(=O)C3CC=C(C=C3)F
InChI
InChI=1S/C15H11F3N2O4S/c1-8-15(25(23,24)10-4-2-9(16)3-5-10)20(22)14-7-12(18)11(17)6-13(14)19(8)21/h2-4,6-7,10H,5H2,1H3
InChIKey
WJWFUOQERRMURJ-UHFFFAOYSA-N
Compound name
6,7-difluoro-2-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonyl-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.03915 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.04643 177.9
[M+Na]+ 395.02837 189.6
[M-H]- 371.03187 179.0
[M+NH4]+ 390.07297 188.2
[M+K]+ 411.00231 178.0
[M+H-H2O]+ 355.03641 171.6
[M+HCOO]- 417.03735 187.7
[M+CH3COO]- 431.05300 204.8
[M+Na-2H]- 393.01382 181.7
[M]+ 372.03860 175.9
[M]- 372.03970 175.9
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.