CID 4914634

3-(chloromethyl)-1-methylquinolin-2(1h)-one

Structural Information

Molecular Formula

C₁₁H₁₀ClNO

SMILES

CN1C2=CC=CC=C2C=C(C1=O)CCl

InChI

InChI=1S/C11H10ClNO/c1-13-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-6H,7H2,1H3

InChIKey

RRBZYQKQFDGOIY-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-1-methylquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 207.04509 Da
Monoisotopic Mass: 1.9
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]+	208.05237	139.7
[M+Na]+	230.03431	156.7
[M+NH4]+	225.07891	149.6
[M+K]+	246.00825	147.9
[M-H]-	206.03781	143.0
[M+Na-2H]-	228.01976	148.1
[M]+	207.04454	143.6
[M]-	207.04564	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe