CID 268963

Ethyl 4-chloroquinoline-3-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₀ClNO₂

SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1)Cl

InChI

InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3

InChIKey

DWXQUAHMZWZXHP-UHFFFAOYSA-N

Compound name

ethyl 4-chloroquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 296
Patents: 235.04001 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]+	236.04729	147.3
[M+Na]+	258.02923	162.9
[M+NH4]+	253.07383	156.4
[M+K]+	274.00317	155.1
[M-H]-	234.03273	149.8
[M+Na-2H]-	256.01468	154.8
[M]+	235.03946	150.6
[M]-	235.04056	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe