CID 326411

23241-13-6

Structural Information

Molecular Formula

C₁₆H₁₂ClNO₃

SMILES

C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C16H12ClNO3/c17-11-7-5-10(6-8-11)14(19)9-16(21)12-3-1-2-4-13(12)18-15(16)20/h1-8,21H,9H2,(H,18,20)

InChIKey

IQKSKRNESHGHKU-UHFFFAOYSA-N

Compound name

3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 301.05057 Da
Monoisotopic Mass: 2.5
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]+	302.05785	166.1
[M+Na]+	324.03979	176.0
[M-H]-	300.04329	170.4
[M+NH4]+	319.08439	184.2
[M+K]+	340.01373	168.9
[M+H-H2O]+	284.04783	160.1
[M+HCOO]-	346.04877	180.1
[M+CH3COO]-	360.06442	177.5
[M+Na-2H]-	322.02524	169.2
[M]+	301.05002	166.9
[M]-	301.05112	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe