CID 3018579

6,7-dichloro-3-hydroxy-2-quinoxalinecarboxylic acid

Structural Information

Molecular Formula
C9H4Cl2N2O3
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C9H4Cl2N2O3/c10-3-1-5-6(2-4(3)11)13-8(14)7(12-5)9(15)16/h1-2H,(H,13,14)(H,15,16)
InChIKey
LWFDMVFVKWWYFN-UHFFFAOYSA-N
Compound name
6,7-dichloro-3-oxo-4H-quinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

72
Patents

257.9599 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96718 144.3
[M+Na]+ 280.94912 157.0
[M-H]- 256.95262 144.1
[M+NH4]+ 275.99372 160.1
[M+K]+ 296.92306 150.6
[M+H-H2O]+ 240.95716 139.4
[M+HCOO]- 302.95810 153.5
[M+CH3COO]- 316.97375 187.9
[M+Na-2H]- 278.93457 149.9
[M]+ 257.95935 147.4
[M]- 257.96045 147.4
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

patents stripe