CID 57882760

870822-86-9

Structural Information

Molecular Formula

C₁₀H₈BClO₂

SMILES

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

InChI

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

InChIKey

ZKSSVXQGTJXFPO-UHFFFAOYSA-N

Compound name

(6-chloronaphthalen-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
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	137.5
[M+Na]+	229.01982	147.2
[M-H]-	205.02332	139.9
[M+NH4]+	224.06442	157.5
[M+K]+	244.99376	142.1
[M+H-H2O]+	189.02786	133.5
[M+HCOO]-	251.02880	153.5
[M+CH3COO]-	265.04445	180.1
[M+Na-2H]-	227.00527	144.4
[M]+	206.03005	138.5
[M]-	206.03115	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe