CID 38386

446254-31-5

Structural Information

Molecular Formula

C₁₂H₆Br₄O

SMILES

C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br

InChI

InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H

InChIKey

ARERIMFZYPFJAV-UHFFFAOYSA-N

Compound name

1,2,3-tribromo-4-(4-bromophenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 421
Patents: 481.7152 Da
Monoisotopic Mass: 6.2
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]+	482.72248	163.0
[M+Na]+	504.70442	158.3
[M+NH4]+	499.74902	164.1
[M+K]+	520.67836	164.3
[M-H]-	480.70792	165.2
[M+Na-2H]-	502.68987	164.5
[M]+	481.71465	163.5
[M]-	481.71575	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe