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

704
Patents

228.04163 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.048906 144.2
[M+Na]+ 251.030848 154.9
[M-H]- 227.034354 148.3
[M+NH4]+ 246.075453 166.0
[M+K]+ 267.004788 149.9
[M+H-H2O]+ 211.038890 140.0
[M+HCOO]- 273.039831 161.0
[M+CH3COO]- 287.055481 157.7
[M+Na-2H]- 249.016296 149.4
[M]+ 228.04108142 147.6
[M]- 228.04217858 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