CID 86191015

204315-20-8

Structural Information

Molecular Formula

C₁₁H₈ClNO₃

SMILES

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

InChI

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

InChIKey

JHTYXALVKFBXHL-UHFFFAOYSA-N

Compound name

7-chloro-3-(hydroxymethyl)quinoline-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 237.01927 Da
Monoisotopic Mass: 1.5
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]+	238.026546	145.5
[M+Na]+	260.008488	156.0
[M-H]-	236.011994	146.7
[M+NH4]+	255.053093	162.9
[M+K]+	275.982428	150.9
[M+H-H2O]+	220.016530	140.3
[M+HCOO]-	282.017471	160.3
[M+CH3COO]-	296.033121	185.9
[M+Na-2H]-	257.993936	151.4
[M]+	237.01872142	148.1
[M]-	237.01981858	148.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.