CID 4738515

2,6-dichloroquinoline-3-carboxaldehyde

Structural Information

Molecular Formula

C₁₀H₅Cl₂NO

SMILES

C1=CC2=NC(=C(C=C2C=C1Cl)C=O)Cl

InChI

InChI=1S/C10H5Cl2NO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H

InChIKey

WZUNMOMEOMPYKZ-UHFFFAOYSA-N

Compound name

2,6-dichloroquinoline-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 224.97482 Da
Monoisotopic Mass: 3.2
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]+	225.98210	140.3
[M+Na]+	247.96404	152.9
[M-H]-	223.96754	143.5
[M+NH4]+	243.00864	160.2
[M+K]+	263.93798	146.8
[M+H-H2O]+	207.97208	135.3
[M+HCOO]-	269.97302	153.8
[M+CH3COO]-	283.98867	154.1
[M+Na-2H]-	245.94949	147.9
[M]+	224.97427	144.8
[M]-	224.97537	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe