CID 22646520

205448-66-4

Structural Information

Molecular Formula

C₁₂H₁₀ClNO₃

SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)OC)Cl

InChI

InChI=1S/C12H10ClNO3/c1-16-11-6-10-7(9(13)3-4-14-10)5-8(11)12(15)17-2/h3-6H,1-2H3

InChIKey

DDDSGYZATMCUDW-UHFFFAOYSA-N

Compound name

methyl 4-chloro-7-methoxyquinoline-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 251.03493 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]+	252.04221	150.1
[M+Na]+	274.02415	165.5
[M+NH4]+	269.06875	158.5
[M+K]+	289.99809	158.5
[M-H]-	250.02765	152.1
[M+Na-2H]-	272.00960	156.9
[M]+	251.03438	153.2
[M]-	251.03548	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe