CID 4349738

173194-95-1

Structural Information

Molecular Formula

C₁₀H₉BO₃

SMILES

B(C1=CC2=C(C=C1)C=C(C=C2)O)(O)O

InChI

InChI=1S/C10H9BO3/c12-10-4-2-7-5-9(11(13)14)3-1-8(7)6-10/h1-6,12-14H

InChIKey

SNJANQMHRGSHFN-UHFFFAOYSA-N

Compound name

(6-hydroxynaphthalen-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 350
Patents: 188.06447 Da
Monoisotopic Mass: None
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]+	189.07175	136.7
[M+Na]+	211.05369	149.7
[M+NH4]+	206.09829	145.1
[M+K]+	227.02763	144.4
[M-H]-	187.05719	138.1
[M+Na-2H]-	209.03914	142.7
[M]+	188.06392	138.9
[M]-	188.06502	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe