CID 314787

1-phenyloxindole

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3

InChI

InChI=1S/C14H11NO/c16-14-10-11-6-4-5-9-13(11)15(14)12-7-2-1-3-8-12/h1-9H,10H2

InChIKey

OWPNVXATCSXTBK-UHFFFAOYSA-N

Compound name

1-phenyl-3H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 206
Patents: 209.08406 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]+	210.09134	144.3
[M+Na]+	232.07328	153.5
[M-H]-	208.07678	151.0
[M+NH4]+	227.11788	164.6
[M+K]+	248.04722	149.0
[M+H-H2O]+	192.08132	136.9
[M+HCOO]-	254.08226	167.1
[M+CH3COO]-	268.09791	157.9
[M+Na-2H]-	230.05873	150.3
[M]+	209.08351	143.5
[M]-	209.08461	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe