CID 222842

80655-81-8

Structural Information

Molecular Formula

C₂₀H₁₂Br₂O₂

SMILES

C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)Br)O)O)C=C1Br

InChI

InChI=1S/C20H12Br2O2/c21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h1-10,23-24H

InChIKey

OORIFUHRGQKYEV-UHFFFAOYSA-N

Compound name

6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1655
Patents: 441.9204 Da
Monoisotopic Mass: 6.7
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]+	442.92768	178.7
[M+Na]+	464.90962	189.4
[M-H]-	440.91312	187.4
[M+NH4]+	459.95422	193.6
[M+K]+	480.88356	174.1
[M+H-H2O]+	424.91766	185.8
[M+HCOO]-	486.91860	191.3
[M+CH3COO]-	500.93425	190.4
[M+Na-2H]-	462.89507	184.4
[M]+	441.91985	213.0
[M]-	441.92095	213.0

Literature stripe

literature stripe

Patent stripe

patents stripe