CID 14810157

5-phenylisatin

Structural Information

Molecular Formula

C₁₄H₉NO₂

SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C3=O

InChI

InChI=1S/C14H9NO2/c16-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)15-14(13)17/h1-8H,(H,15,16,17)

InChIKey

SCYQIRIBDBKXGG-UHFFFAOYSA-N

Compound name

5-phenyl-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 34
Patents: 223.06332 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]+	224.070596	146.8
[M+Na]+	246.052538	156.7
[M-H]-	222.056044	152.5
[M+NH4]+	241.097143	166.0
[M+K]+	262.026478	151.2
[M+H-H2O]+	206.060580	139.9
[M+HCOO]-	268.061521	168.4
[M+CH3COO]-	282.077171	160.0
[M+Na-2H]-	244.037986	151.7
[M]+	223.06277142	145.4
[M]-	223.06386858	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe