CID 58988720

Dibenzo[b,d]thiophen-3-ylboronic acid

Structural Information

Molecular Formula
C12H9BO2S
SMILES
B(C1=CC2=C(C=C1)C3=CC=CC=C3S2)(O)O
InChI
InChI=1S/C12H9BO2S/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7,14-15H
InChIKey
NHVNWPIMHDTDPP-UHFFFAOYSA-N
Compound name
dibenzothiophen-3-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
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

No literature data available for this compound.

Patent stripe

patents stripe