CID 482655

3,6-dimethyl-2-chloroquinoxaline-1,4-dioxide

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
CC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C)Cl
InChI
InChI=1S/C10H9ClN2O2/c1-6-3-4-8-9(5-6)12(14)7(2)10(11)13(8)15/h3-5H,1-2H3
InChIKey
USSKSKADBYJSLC-UHFFFAOYSA-N
Compound name
2-chloro-3,6-dimethyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.03525 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 144.2
[M+Na]+ 247.02447 156.8
[M-H]- 223.02797 145.7
[M+NH4]+ 242.06907 161.6
[M+K]+ 262.99841 147.3
[M+H-H2O]+ 207.03251 142.9
[M+HCOO]- 269.03345 160.4
[M+CH3COO]- 283.04910 180.1
[M+Na-2H]- 245.00992 152.5
[M]+ 224.03470 146.3
[M]- 224.03580 146.3
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.