CID 2794660

Dibenzothiophene-2-boronic acid

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

992
Patents

228.04163 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04891 144.2
[M+Na]+ 251.03085 154.9
[M-H]- 227.03435 148.3
[M+NH4]+ 246.07545 166.0
[M+K]+ 267.00479 149.9
[M+H-H2O]+ 211.03889 140.0
[M+HCOO]- 273.03983 161.0
[M+CH3COO]- 287.05548 157.7
[M+Na-2H]- 249.01630 149.4
[M]+ 228.04108 147.6
[M]- 228.04218 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe