CID 27768

1,6-dibromo-2-naphthol

Structural Information

Molecular Formula

C₁₀H₆Br₂O

SMILES

C1=CC2=C(C=CC(=C2Br)O)C=C1Br

InChI

InChI=1S/C10H6Br2O/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12/h1-5,13H

InChIKey

VKESFYLPKHQOOA-UHFFFAOYSA-N

Compound name

1,6-dibromonaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 378
Patents: 299.87854 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]+	300.88582	141.3
[M+Na]+	322.86776	153.0
[M-H]-	298.87126	148.2
[M+NH4]+	317.91236	161.0
[M+K]+	338.84170	137.6
[M+H-H2O]+	282.87580	150.1
[M+HCOO]-	344.87674	156.4
[M+CH3COO]-	358.89239	155.7
[M+Na-2H]-	320.85321	149.6
[M]+	299.87799	175.0
[M]-	299.87909	175.0

Literature stripe

literature stripe

Patent stripe

patents stripe