CID 19003896

90097-81-7

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CCl

InChI

InChI=1S/C11H10ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-12)11(14)13-10/h2-5H,6H2,1H3,(H,13,14)

InChIKey

MLZLCZURKBOLMM-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-6-methoxy-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 223.04001 Da
Monoisotopic Mass: 1.7
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]+	224.04729	143.4
[M+Na]+	246.02923	159.3
[M+NH4]+	241.07383	152.3
[M+K]+	262.00317	151.4
[M-H]-	222.03273	145.6
[M+Na-2H]-	244.01468	150.6
[M]+	223.03946	146.6
[M]-	223.04056	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe