CID 23438904

(1-benzofuran-3-yl)boronic acid

Structural Information

Molecular Formula
C8H7BO3
SMILES
B(C1=COC2=CC=CC=C12)(O)O
InChI
InChI=1S/C8H7BO3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
InChIKey
DFUGYZQSDFQVPU-UHFFFAOYSA-N
Compound name
1-benzofuran-3-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

446
Patents

162.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05611 127.3
[M+Na]+ 185.03805 137.0
[M-H]- 161.04155 130.8
[M+NH4]+ 180.08265 148.5
[M+K]+ 201.01199 135.6
[M+H-H2O]+ 145.04609 122.9
[M+HCOO]- 207.04703 149.9
[M+CH3COO]- 221.06268 170.8
[M+Na-2H]- 183.02350 135.6
[M]+ 162.04828 129.2
[M]- 162.04938 129.2
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