CID 90487829

(3-chloronaphthalen-2-yl)boronic acid

Structural Information

Molecular Formula

C₁₀H₈BClO₂

SMILES

B(C1=CC2=CC=CC=C2C=C1Cl)(O)O

InChI

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

InChIKey

UFWZIXJDUGBBEP-UHFFFAOYSA-N

Compound name

(3-chloronaphthalen-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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]+	207.037876	137.5
[M+Na]+	229.019818	147.2
[M-H]-	205.023324	139.9
[M+NH4]+	224.064423	157.5
[M+K]+	244.993758	142.1
[M+H-H2O]+	189.027860	133.5
[M+HCOO]-	251.028801	153.5
[M+CH3COO]-	265.044451	180.1
[M+Na-2H]-	227.005266	144.4
[M]+	206.03005142	138.5
[M]-	206.03114858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe