CID 7580

Diphenylmethane

Structural Information

Molecular Formula

C₁₃H₁₂

SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey

CZZYITDELCSZES-UHFFFAOYSA-N

Compound name

benzylbenzene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1815
References: 96729
Patents: 168.0939 Da
Monoisotopic Mass: 4.1
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]+	169.10118	136.3
[M+Na]+	191.08312	152.7
[M+NH4]+	186.12772	147.3
[M+K]+	207.05706	143.1
[M-H]-	167.08662	142.7
[M+Na-2H]-	189.06857	148.6
[M]+	168.09335	140.8
[M]-	168.09445	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe