CID 839978

99429-65-9

Structural Information

Molecular Formula

C₁₀H₆ClNO₃

SMILES

C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)O)Cl

InChI

InChI=1S/C10H6ClNO3/c11-8-5-3-1-2-4-6(5)12-9(13)7(8)10(14)15/h1-4H,(H,12,13)(H,14,15)

InChIKey

NTCNBKQOUPVIJW-UHFFFAOYSA-N

Compound name

4-chloro-2-oxo-1H-quinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 223.00362 Da
Monoisotopic Mass: 2.0
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]+	224.01090	141.4
[M+Na]+	245.99284	156.2
[M+NH4]+	241.03744	149.2
[M+K]+	261.96678	150.1
[M-H]-	221.99634	142.1
[M+Na-2H]-	243.97829	147.4
[M]+	223.00307	143.9
[M]-	223.00417	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe