CID 15561966

4-(4-bromophenoxy)phenol

Structural Information

Molecular Formula

C₁₂H₉BrO₂

SMILES

C1=CC(=CC=C1O)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H9BrO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H

InChIKey

HMBBTPMHPQGJMR-UHFFFAOYSA-N

Compound name

4-(4-bromophenoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 263.97858 Da
Monoisotopic Mass: 4.0
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]+	264.985856	148.5
[M+Na]+	286.967798	160.0
[M-H]-	262.971304	156.8
[M+NH4]+	282.012403	168.2
[M+K]+	302.941738	148.6
[M+H-H2O]+	246.975840	148.2
[M+HCOO]-	308.976781	169.9
[M+CH3COO]-	322.992431	189.8
[M+Na-2H]-	284.953246	156.5
[M]+	263.97803142	167.3
[M]-	263.97912858	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe