CID 133665882

(8-chloronaphthalen-1-yl)boronic acid

Structural Information

Molecular Formula

C₁₀H₈BClO₂

SMILES

B(C1=C2C(=CC=C1)C=CC=C2Cl)(O)O

InChI

InChI=1S/C10H8BClO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1-6,13-14H

InChIKey

LAKQJVVXANSQKZ-UHFFFAOYSA-N

Compound name

(8-chloronaphthalen-1-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 206.0306 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]+	207.03788	138.3
[M+Na]+	229.01982	153.3
[M+NH4]+	224.06442	148.0
[M+K]+	244.99376	146.2
[M-H]-	205.02332	140.9
[M+Na-2H]-	227.00527	145.6
[M]+	206.03005	141.6
[M]-	206.03115	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe