CID 457729

Chloroonychine

Structural Information

Molecular Formula

C₁₃H₈ClNO

SMILES

C1=CC=C2C(=C1)C3=NC=CC(=C3C2=O)CCl

InChI

InChI=1S/C13H8ClNO/c14-7-8-5-6-15-12-9-3-1-2-4-10(9)13(16)11(8)12/h1-6H,7H2

InChIKey

RCXCUQDUOAVZAZ-UHFFFAOYSA-N

Compound name

4-(chloromethyl)indeno[1,2-b]pyridin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 229.02943 Da
Monoisotopic Mass: 2.4
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]+	230.03671	147.4
[M+Na]+	252.01865	159.8
[M-H]-	228.02215	152.1
[M+NH4]+	247.06325	169.4
[M+K]+	267.99259	153.4
[M+H-H2O]+	212.02669	141.5
[M+HCOO]-	274.02763	165.5
[M+CH3COO]-	288.04328	161.4
[M+Na-2H]-	250.00410	154.1
[M]+	229.02888	151.4
[M]-	229.02998	151.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.