CID 4197999

Benzofuran-5-boronic acid

Structural Information

Molecular Formula
C8H7BO3
SMILES
B(C1=CC2=C(C=C1)OC=C2)(O)O
InChI
InChI=1S/C8H7BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,10-11H
InChIKey
WYXQQAYIAJRORT-UHFFFAOYSA-N
Compound name
1-benzofuran-5-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

162.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05611 128.1
[M+Na]+ 185.03805 140.9
[M+NH4]+ 180.08265 136.8
[M+K]+ 201.01199 138.0
[M-H]- 161.04155 130.6
[M+Na-2H]- 183.02350 133.9
[M]+ 162.04828 130.6
[M]- 162.04938 130.6
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