CID 54690348

22587-15-1

Structural Information

Molecular Formula
C9H5ClN2O4
SMILES
C1=CC2=C(C=C1Cl)[N+](=O)C=C(N2[O-])C(=O)O
InChI
InChI=1S/C9H5ClN2O4/c10-5-1-2-6-7(3-5)11(15)4-8(9(13)14)12(6)16/h1-4H,(H,13,14)
InChIKey
OREKRDMCWBYLFR-UHFFFAOYSA-N
Compound name
6-chloro-1-oxido-4-oxoquinoxalin-4-ium-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.99379 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00107 143.3
[M+Na]+ 262.98301 154.7
[M-H]- 238.98651 143.6
[M+NH4]+ 258.02761 158.7
[M+K]+ 278.95695 145.5
[M+H-H2O]+ 222.99105 142.2
[M+HCOO]- 284.99199 158.1
[M+CH3COO]- 299.00764 177.2
[M+Na-2H]- 260.96846 151.7
[M]+ 239.99324 144.5
[M]- 239.99434 144.5
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

patents stripe