CID 226063

2-phenylisoindoline

Structural Information

Molecular Formula

C₁₄H₁₃N

SMILES

C1C2=CC=CC=C2CN1C3=CC=CC=C3

InChI

InChI=1S/C14H13N/c1-2-8-14(9-3-1)15-10-12-6-4-5-7-13(12)11-15/h1-9H,10-11H2

InChIKey

QQULFDKOSHUTTM-UHFFFAOYSA-N

Compound name

2-phenyl-1,3-dihydroisoindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 195.1048 Da
Monoisotopic Mass: 3.1
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]+	196.11208	143.1
[M+Na]+	218.09402	158.4
[M+NH4]+	213.13862	154.0
[M+K]+	234.06796	151.0
[M-H]-	194.09752	148.5
[M+Na-2H]-	216.07947	152.8
[M]+	195.10425	147.0
[M]-	195.10535	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe