CID 70824

1,2-diphenylcyclopropane

Structural Information

Molecular Formula

C₁₅H₁₄

SMILES

C1C(C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

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

InChIKey

ZSIYTDQNAOYUNE-UHFFFAOYSA-N

Compound name

(2-phenylcyclopropyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 86
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	138.4
[M+Na]+	217.098758	147.4
[M-H]-	193.102264	148.7
[M+NH4]+	212.143363	152.9
[M+K]+	233.072698	143.5
[M+H-H2O]+	177.106800	130.9
[M+HCOO]-	239.107741	163.3
[M+CH3COO]-	253.123391	152.0
[M+Na-2H]-	215.084206	146.0
[M]+	194.10899142	139.1
[M]-	194.11008858	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe