CID 99989099

8-chloroquinoxaline-6-carboxylic acid

Structural Information

Molecular Formula
C9H5ClN2O2
SMILES
C1=CN=C2C(=CC(=CC2=N1)C(=O)O)Cl
InChI
InChI=1S/C9H5ClN2O2/c10-6-3-5(9(13)14)4-7-8(6)12-2-1-11-7/h1-4H,(H,13,14)
InChIKey
HWSGDKYYMVMPSD-UHFFFAOYSA-N
Compound name
8-chloroquinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

208.00395 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.011226 137.8
[M+Na]+ 230.993168 148.8
[M-H]- 206.996674 138.8
[M+NH4]+ 226.037773 155.4
[M+K]+ 246.967108 144.1
[M+H-H2O]+ 191.001210 131.4
[M+HCOO]- 253.002151 153.1
[M+CH3COO]- 267.017801 181.8
[M+Na-2H]- 228.978616 145.9
[M]+ 208.00340142 140.0
[M]- 208.00449858 140.0
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