CID 282846

4-chloroquinoline-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

207.00871 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.015986 137.8
[M+Na]+ 229.997928 148.4
[M-H]- 206.001434 140.2
[M+NH4]+ 225.042533 156.9
[M+K]+ 245.971868 143.6
[M+H-H2O]+ 190.005970 132.4
[M+HCOO]- 252.006911 154.2
[M+CH3COO]- 266.022561 182.0
[M+Na-2H]- 227.983376 145.4
[M]+ 207.00816142 140.0
[M]- 207.00925858 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