CID 16305

2050-47-7

Structural Information

Molecular Formula

C₁₂H₈Br₂O

SMILES

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

InChI

InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

InChIKey

YAWIAFUBXXPJMQ-UHFFFAOYSA-N

Compound name

1-bromo-4-(4-bromophenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 1198
Patents: 325.8942 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]+	326.90148	152.2
[M+Na]+	348.88342	149.2
[M+NH4]+	343.92802	155.0
[M+K]+	364.85736	154.3
[M-H]-	324.88692	154.8
[M+Na-2H]-	346.86887	156.1
[M]+	325.89365	151.6
[M]-	325.89475	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe