CID 2794660

668983-97-9

Structural Information

Molecular Formula

C₁₂H₉BO₂S

SMILES

B(C1=CC2=C(C=C1)SC3=CC=CC=C32)(O)O

InChI

InChI=1S/C12H9BO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7,14-15H

InChIKey

CSLSCVHILGCSTE-UHFFFAOYSA-N

Compound name

dibenzothiophen-2-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 872
Patents: 228.04163 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]+	229.04891	144.3
[M+Na]+	251.03085	158.2
[M+NH4]+	246.07545	154.7
[M+K]+	267.00479	151.1
[M-H]-	227.03435	147.3
[M+Na-2H]-	249.01630	150.6
[M]+	228.04108	147.7
[M]-	228.04218	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe