CID 89638

2-phenylindan

Structural Information

Molecular Formula

C₁₅H₁₄

SMILES

C1C(CC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C15H14/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15/h1-9,15H,10-11H2

InChIKey

PZZIWXQGJNDBRF-UHFFFAOYSA-N

Compound name

2-phenyl-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 194.10954 Da
Monoisotopic Mass: 4.0
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]+	195.116816	142.1
[M+Na]+	217.098758	149.7
[M-H]-	193.102264	149.6
[M+NH4]+	212.143363	164.2
[M+K]+	233.072698	145.1
[M+H-H2O]+	177.106800	135.5
[M+HCOO]-	239.107741	165.5
[M+CH3COO]-	253.123391	155.8
[M+Na-2H]-	215.084206	148.3
[M]+	194.10899142	140.0
[M]-	194.11008858	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe