CID 230582

2-chloroquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)O
InChI
InChI=1S/C10H6ClNO2/c11-9-5-7(10(13)14)6-3-1-2-4-8(6)12-9/h1-5H,(H,13,14)
InChIKey
ICNCOMYUODLTAI-UHFFFAOYSA-N
Compound name
2-chloroquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

206
Patents

207.00871 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01599 137.8
[M+Na]+ 229.99793 148.4
[M-H]- 206.00143 140.2
[M+NH4]+ 225.04253 156.9
[M+K]+ 245.97187 143.6
[M+H-H2O]+ 190.00597 132.4
[M+HCOO]- 252.00691 154.2
[M+CH3COO]- 266.02256 182.0
[M+Na-2H]- 227.98338 145.4
[M]+ 207.00816 140.0
[M]- 207.00926 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

patents stripe