CID 788656

323196-71-0

Structural Information

Molecular Formula

C₁₂H₁₀ClNO

SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)Cl)C=O

InChI

InChI=1S/C12H10ClNO/c1-7-3-4-8(2)11-10(7)5-9(6-15)12(13)14-11/h3-6H,1-2H3

InChIKey

MEVWOQZZSJDOBU-UHFFFAOYSA-N

Compound name

2-chloro-5,8-dimethylquinoline-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 219.04509 Da
Monoisotopic Mass: 3.3
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]+	220.05237	143.5
[M+Na]+	242.03431	156.0
[M-H]-	218.03781	147.6
[M+NH4]+	237.07891	163.6
[M+K]+	258.00825	150.6
[M+H-H2O]+	202.04235	137.9
[M+HCOO]-	264.04329	161.5
[M+CH3COO]-	278.05894	190.0
[M+Na-2H]-	240.01976	150.2
[M]+	219.04454	148.1
[M]-	219.04564	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe