CID 7647

1,2-diphenylethane

Structural Information

Molecular Formula

C₁₄H₁₄

SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

QWUWMCYKGHVNAV-UHFFFAOYSA-N

Compound name

2-phenylethylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 150
References: 52150
Patents: 182.10954 Da
Monoisotopic Mass: 4.8
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]+	183.11682	139.3
[M+Na]+	205.09876	146.0
[M-H]-	181.10226	145.7
[M+NH4]+	200.14336	158.9
[M+K]+	221.07270	142.2
[M+H-H2O]+	165.10680	132.3
[M+HCOO]-	227.10774	163.8
[M+CH3COO]-	241.12339	152.7
[M+Na-2H]-	203.08421	147.6
[M]+	182.10899	138.4
[M]-	182.11009	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe