CID 17899629

2219408-85-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

207.00871 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01599 138.5
[M+Na]+ 229.99793 154.0
[M+NH4]+ 225.04253 147.6
[M+K]+ 245.97187 146.9
[M-H]- 206.00143 140.5
[M+Na-2H]- 227.98338 146.0
[M]+ 207.00816 141.6
[M]- 207.00926 141.6
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