CID 89701704

859224-82-1

Structural Information

Molecular Formula

C₁₃H₁₀Br₂

SMILES

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

InChI

InChI=1S/C13H10Br2/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8H,9H2

InChIKey

LJYNDADXCDQQQW-UHFFFAOYSA-N

Compound name

1-bromo-4-[3-(bromomethyl)phenyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 323.91492 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]+	324.92220	149.5
[M+Na]+	346.90414	160.0
[M-H]-	322.90764	158.6
[M+NH4]+	341.94874	167.9
[M+K]+	362.87808	144.6
[M+H-H2O]+	306.91218	157.7
[M+HCOO]-	368.91312	166.2
[M+CH3COO]-	382.92877	163.6
[M+Na-2H]-	344.88959	156.9
[M]+	323.91437	183.2
[M]-	323.91547	183.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe