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

292
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

No literature data available for this compound.

Patent stripe

patents stripe