CID 689082

73568-26-0

Structural Information

Molecular Formula

C₁₁H₈ClNO

SMILES

CC1=C2C(=CC=C1)C=C(C(=N2)Cl)C=O

InChI

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

InChIKey

YPBRSXNRWFUUOE-UHFFFAOYSA-N

Compound name

2-chloro-8-methylquinoline-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 130
Patents: 205.02943 Da
Monoisotopic Mass: 3.0
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]+	206.03671	139.1
[M+Na]+	228.01865	151.1
[M-H]-	204.02215	143.0
[M+NH4]+	223.06325	159.5
[M+K]+	243.99259	145.9
[M+H-H2O]+	188.02669	133.4
[M+HCOO]-	250.02763	157.4
[M+CH3COO]-	264.04328	185.8
[M+Na-2H]-	226.00410	147.0
[M]+	205.02888	143.0
[M]-	205.02998	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe