CID 140640

1,2-diphenylcyclobutane

Structural Information

Molecular Formula

C₁₆H₁₆

SMILES

C1CC(C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2

InChIKey

AERGGMDNGDDGPI-UHFFFAOYSA-N

Compound name

(2-phenylcyclobutyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 75
Patents: 208.1252 Da
Monoisotopic Mass: 4.6
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]+	209.13248	142.5
[M+Na]+	231.11442	154.1
[M+NH4]+	226.15902	149.6
[M+K]+	247.08836	146.8
[M-H]-	207.11792	147.4
[M+Na-2H]-	229.09987	152.4
[M]+	208.12465	144.7
[M]-	208.12575	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe