CID 18801919

6-chloro-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₈ClNO₃

SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C11H8ClNO3/c1-13-5-8(11(15)16)10(14)7-4-6(12)2-3-9(7)13/h2-5H,1H3,(H,15,16)

InChIKey

LJLOUFZTLYUARB-UHFFFAOYSA-N

Compound name

6-chloro-1-methyl-4-oxoquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.01927 Da
Monoisotopic Mass: 2.6
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	143.9
[M+Na]+	260.008488	156.1
[M-H]-	236.011994	147.0
[M+NH4]+	255.053093	162.3
[M+K]+	275.982428	151.3
[M+H-H2O]+	220.016530	138.7
[M+HCOO]-	282.017471	160.4
[M+CH3COO]-	296.033121	188.8
[M+Na-2H]-	257.993936	149.6
[M]+	237.01872142	148.1
[M]-	237.01981858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.