CID 510566

Chembl468679

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)C
InChI
InChI=1S/C11H9ClN2O3/c1-6-11(7(2)15)14(17)10-5-8(12)3-4-9(10)13(6)16/h3-5H,1-2H3
InChIKey
GMYDZHNKVOEAPE-UHFFFAOYSA-N
Compound name
1-(7-chloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

252.03017 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03745 149.8
[M+Na]+ 275.01939 161.8
[M-H]- 251.02289 151.4
[M+NH4]+ 270.06399 165.8
[M+K]+ 290.99333 152.5
[M+H-H2O]+ 235.02743 148.4
[M+HCOO]- 297.02837 165.2
[M+CH3COO]- 311.04402 185.0
[M+Na-2H]- 273.00484 156.7
[M]+ 252.02962 152.4
[M]- 252.03072 152.4
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.