CID 690958

2-chloro-3-quinolinecarboxaldehyde

Structural Information

Molecular Formula

C₁₀H₆ClNO

SMILES

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

InChI

InChI=1S/C10H6ClNO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-6H

InChIKey

SDKQWXCBSNMYBN-UHFFFAOYSA-N

Compound name

2-chloroquinoline-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 933
Patents: 191.0138 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]+	192.021076	134.6
[M+Na]+	214.003018	146.1
[M-H]-	190.006524	138.2
[M+NH4]+	209.047623	155.2
[M+K]+	229.976958	141.1
[M+H-H2O]+	174.011060	128.8
[M+HCOO]-	236.012001	153.3
[M+CH3COO]-	250.027651	148.9
[M+Na-2H]-	211.988466	143.8
[M]+	191.01325142	137.7
[M]-	191.01434858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe