CID 15257197

Cloquintocet

Structural Information

Molecular Formula

C₁₁H₈ClNO₃

SMILES

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

InChI

InChI=1S/C11H8ClNO3/c12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11/h1-5H,6H2,(H,14,15)

InChIKey

ICJSJAJWTWPSBD-UHFFFAOYSA-N

Compound name

2-(5-chloroquinolin-8-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11512
Patents: 237.01927 Da
Monoisotopic Mass: 2.8
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]+	238.02655	146.1
[M+Na]+	260.00849	160.8
[M+NH4]+	255.05309	154.4
[M+K]+	275.98243	154.1
[M-H]-	236.01199	147.5
[M+Na-2H]-	257.99394	152.8
[M]+	237.01872	148.9
[M]-	237.01982	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe