CID 458147

5,5'-dibromo-2,2'-dihydroxy-biphenyl

Structural Information

Molecular Formula

C₁₂H₈Br₂O₂

SMILES

C1=CC(=C(C=C1Br)C2=C(C=CC(=C2)Br)O)O

InChI

InChI=1S/C12H8Br2O2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6,15-16H

InChIKey

FCTQSFVLYRQKTR-UHFFFAOYSA-N

Compound name

4-bromo-2-(5-bromo-2-hydroxyphenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 53
Patents: 341.8891 Da
Monoisotopic Mass: 4.2
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]+	342.89638	151.3
[M+Na]+	364.87832	162.0
[M-H]-	340.88182	158.7
[M+NH4]+	359.92292	168.1
[M+K]+	380.85226	146.1
[M+H-H2O]+	324.88636	159.1
[M+HCOO]-	386.88730	165.9
[M+CH3COO]-	400.90295	206.2
[M+Na-2H]-	362.86377	157.0
[M]+	341.88855	184.4
[M]-	341.88965	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe