CID 482638

7-chloro-3-methyl-2-phenylsulfonylquinoxaline-1,4-dioxide

Structural Information

Molecular Formula
C15H11ClN2O4S
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11ClN2O4S/c1-10-15(23(21,22)12-5-3-2-4-6-12)18(20)14-9-11(16)7-8-13(14)17(10)19/h2-9H,1H3
InChIKey
VOBZSNPGOBDHFJ-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-7-chloro-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.01282 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.02010 175.6
[M+Na]+ 373.00204 186.8
[M-H]- 349.00554 180.4
[M+NH4]+ 368.04664 187.4
[M+K]+ 388.97598 175.5
[M+H-H2O]+ 333.01008 172.6
[M+HCOO]- 395.01102 185.4
[M+CH3COO]- 409.02667 197.7
[M+Na-2H]- 370.98749 182.6
[M]+ 350.01227 179.2
[M]- 350.01337 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.