CID 3048795

Tetrabrom-o-biphenol

Structural Information

Molecular Formula

C₁₂H₆Br₄O₂

SMILES

C1=CC=C(C(=C1)C2=C(C(=C(C(=C2Br)Br)Br)Br)O)O

InChI

InChI=1S/C12H6Br4O2/c13-8-7(5-3-1-2-4-6(5)17)12(18)11(16)10(15)9(8)14/h1-4,17-18H

InChIKey

FUQAGKYWAUZSEJ-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrabromo-6-(2-hydroxyphenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 210
Patents: 497.71014 Da
Monoisotopic Mass: 5.6
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]+	498.71742	164.9
[M+Na]+	520.69936	160.1
[M+NH4]+	515.74396	165.8
[M+K]+	536.67330	166.2
[M-H]-	496.70286	167.0
[M+Na-2H]-	518.68481	166.0
[M]+	497.70959	165.3
[M]-	497.71069	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe