CID 13984472

3-chloroquinoxaline-2-carboxylic acid

Structural Information

Molecular Formula
C9H5ClN2O2
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)Cl)C(=O)O
InChI
InChI=1S/C9H5ClN2O2/c10-8-7(9(13)14)11-5-3-1-2-4-6(5)12-8/h1-4H,(H,13,14)
InChIKey
LLFXNFDLKGPZML-UHFFFAOYSA-N
Compound name
3-chloroquinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

208.00395 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

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