CID 12884

1-phenylisatin

Structural Information

Molecular Formula

C₁₄H₉NO₂

SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O

InChI

InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H

InChIKey

UWCPWBIMRYXUOU-UHFFFAOYSA-N

Compound name

1-phenylindole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 324
Patents: 223.06332 Da
Monoisotopic Mass: 2.1
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]+	224.07060	147.8
[M+Na]+	246.05254	162.9
[M+NH4]+	241.09714	156.9
[M+K]+	262.02648	156.8
[M-H]-	222.05604	151.8
[M+Na-2H]-	244.03799	155.9
[M]+	223.06277	151.1
[M]-	223.06387	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe