CID 137943653

2287323-23-1

Structural Information

Molecular Formula

C₁₀H₆ClNO₂

SMILES

C1=CC2=CC(=C(C=C2N=C1)C(=O)O)Cl

InChI

InChI=1S/C10H6ClNO2/c11-8-4-6-2-1-3-12-9(6)5-7(8)10(13)14/h1-5H,(H,13,14)

InChIKey

NZDFXFJQFJHPMI-UHFFFAOYSA-N

Compound name

6-chloroquinoline-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 207.00871 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe