CID 2734375

2-naphthylboronic acid

Structural Information

Molecular Formula

C₁₀H₉BO₂

SMILES

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

InChI

InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H

InChIKey

KPTRDYONBVUWPD-UHFFFAOYSA-N

Compound name

naphthalen-2-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 8156
Patents: 172.06956 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]+	173.07684	132.4
[M+Na]+	195.05878	140.3
[M-H]-	171.06228	134.6
[M+NH4]+	190.10338	152.5
[M+K]+	211.03272	137.0
[M+H-H2O]+	155.06682	127.2
[M+HCOO]-	217.06776	152.8
[M+CH3COO]-	231.08341	175.1
[M+Na-2H]-	193.04423	140.3
[M]+	172.06901	130.7
[M]-	172.07011	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe