CID 57444452

4-chloro-6-methylquinoline-3-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₈ClNO

SMILES

CC1=CC2=C(C(=CN=C2C=C1)C=O)Cl

InChI

InChI=1S/C11H8ClNO/c1-7-2-3-10-9(4-7)11(12)8(6-14)5-13-10/h2-6H,1H3

InChIKey

JKBNXHWTALQMJI-UHFFFAOYSA-N

Compound name

4-chloro-6-methylquinoline-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 205.02943 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]+	206.03671	139.4
[M+Na]+	228.01865	156.4
[M+NH4]+	223.06325	149.3
[M+K]+	243.99259	147.6
[M-H]-	204.02215	142.6
[M+Na-2H]-	226.00410	147.8
[M]+	205.02888	143.2
[M]-	205.02998	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe