CID 45382260

372521-91-0

Structural Information

Molecular Formula

C₁₆H₁₃BO₂

SMILES

B(C1=CC=C(C2=CC=CC=C12)C3=CC=CC=C3)(O)O

InChI

InChI=1S/C16H13BO2/c18-17(19)16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-11,18-19H

InChIKey

BSKLSKWOKGVQHF-UHFFFAOYSA-N

Compound name

(4-phenylnaphthalen-1-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 259
Patents: 248.10086 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]+	249.10814	155.2
[M+Na]+	271.09008	171.1
[M+NH4]+	266.13468	164.9
[M+K]+	287.06402	162.9
[M-H]-	247.09358	160.5
[M+Na-2H]-	269.07553	164.9
[M]+	248.10031	159.2
[M]-	248.10141	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe