CID 317527

3-phenyl-oxindole

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C14H11NO/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-14/h1-9,13H,(H,15,16)

InChIKey

PAMMIXSSIGTOAK-UHFFFAOYSA-N

Compound name

3-phenyl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 125
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	144.6
[M+Na]+	232.07328	153.4
[M-H]-	208.07678	149.9
[M+NH4]+	227.11788	164.2
[M+K]+	248.04722	147.9
[M+H-H2O]+	192.08132	137.5
[M+HCOO]-	254.08226	165.9
[M+CH3COO]-	268.09791	157.5
[M+Na-2H]-	230.05873	150.2
[M]+	209.08351	142.0
[M]-	209.08461	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe