CID 2785122

100517-42-8

Structural Information

Molecular Formula

C₁₀H₆ClNO₂

SMILES

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

InChI

InChI=1S/C10H6ClNO2/c11-9-6-3-1-2-4-8(6)12-10(14)7(9)5-13/h1-5H,(H,12,14)

InChIKey

YOPNXXIYWLPSPA-UHFFFAOYSA-N

Compound name

4-chloro-2-oxo-1H-quinoline-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 207.00871 Da
Monoisotopic Mass: 1.4
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]+	208.01599	137.2
[M+Na]+	229.99793	149.3
[M-H]-	206.00143	139.9
[M+NH4]+	225.04253	156.6
[M+K]+	245.97187	143.5
[M+H-H2O]+	190.00597	131.9
[M+HCOO]-	252.00691	154.8
[M+CH3COO]-	266.02256	181.6
[M+Na-2H]-	227.98338	145.2
[M]+	207.00816	139.6
[M]-	207.00926	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe