CID 10070257

103068-20-8

Structural Information

Molecular Formula

C₁₈H₁₃Br

SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H13Br/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H

InChIKey

IOPQERQQZZREDR-UHFFFAOYSA-N

Compound name

1-bromo-3,5-diphenylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1124
Patents: 308.02005 Da
Monoisotopic Mass: 5.9
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]+	309.02733	160.1
[M+Na]+	331.00927	168.7
[M+NH4]+	326.05387	167.3
[M+K]+	346.98321	164.6
[M-H]-	307.01277	166.6
[M+Na-2H]-	328.99472	170.2
[M]+	308.01950	162.5
[M]-	308.02060	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe