CID 91739

Quinclorac

Structural Information

Molecular Formula

C₁₀H₅Cl₂NO₂

SMILES

C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl

InChI

InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)

InChIKey

FFSSWMQPCJRCRV-UHFFFAOYSA-N

Compound name

3,7-dichloroquinoline-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 103
References: 29421
Patents: 240.96973 Da
Monoisotopic Mass: 3.0
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]+	241.977006	142.5
[M+Na]+	263.958948	154.3
[M-H]-	239.962454	144.5
[M+NH4]+	259.003553	160.9
[M+K]+	279.932888	148.4
[M+H-H2O]+	223.966990	138.0
[M+HCOO]-	285.967931	153.9
[M+CH3COO]-	299.983581	187.9
[M+Na-2H]-	261.944396	148.7
[M]+	240.96918142	146.2
[M]-	240.97027858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe