CID 516714

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

Structural Information

Molecular Formula
C16H14F2N2O5S
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)S(=O)(=O)C3CC=C(C=C3)OC
InChI
InChI=1S/C16H14F2N2O5S/c1-9-16(26(23,24)11-5-3-10(25-2)4-6-11)20(22)15-8-13(18)12(17)7-14(15)19(9)21/h3-5,7-8,11H,6H2,1-2H3
InChIKey
XGVAVUYQDHGICA-UHFFFAOYSA-N
Compound name
6,7-difluoro-2-(4-methoxycyclohexa-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

384.05914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06642 183.3
[M+Na]+ 407.04836 194.1
[M-H]- 383.05186 185.6
[M+NH4]+ 402.09296 193.0
[M+K]+ 423.02230 183.5
[M+H-H2O]+ 367.05640 177.6
[M+HCOO]- 429.05734 193.9
[M+CH3COO]- 443.07299 207.2
[M+Na-2H]- 405.03381 187.5
[M]+ 384.05859 184.0
[M]- 384.05969 184.0
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.