CID 21536913

3-bromo-m-terphenyl

Structural Information

Molecular Formula

C₁₈H₁₃Br

SMILES

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

InChI

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

InChIKey

YDFHRBGWDLALOB-UHFFFAOYSA-N

Compound name

1-bromo-3-(3-phenylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 225
Patents: 308.02005 Da
Monoisotopic Mass: 6.3
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	164.5
[M+Na]+	331.00927	175.2
[M-H]-	307.01277	176.4
[M+NH4]+	326.05387	182.6
[M+K]+	346.98321	162.4
[M+H-H2O]+	291.01731	163.2
[M+HCOO]-	353.01825	186.2
[M+CH3COO]-	367.03390	178.6
[M+Na-2H]-	328.99472	171.9
[M]+	308.01950	181.7
[M]-	308.02060	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe