CID 170983

7-benzoylindolin-2-one

Structural Information

Molecular Formula

C₁₅H₁₁NO₂

SMILES

C1C2=C(C(=CC=C2)C(=O)C3=CC=CC=C3)NC1=O

InChI

InChI=1S/C15H11NO2/c17-13-9-11-7-4-8-12(14(11)16-13)15(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)

InChIKey

APGQYYFHBPQPTL-UHFFFAOYSA-N

Compound name

7-benzoyl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 28
Patents: 237.07898 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]+	238.08626	152.8
[M+Na]+	260.06820	166.4
[M+NH4]+	255.11280	161.3
[M+K]+	276.04214	161.0
[M-H]-	236.07170	156.0
[M+Na-2H]-	258.05365	159.9
[M]+	237.07843	155.5
[M]-	237.07953	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe