CID 51358339

851525-10-5

Structural Information

Molecular Formula
C8H7BO3
SMILES
B(C1=CC2=C(C=C1)C=CO2)(O)O
InChI
InChI=1S/C8H7BO3/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5,10-11H
InChIKey
IBCSNLAKMCMGCZ-UHFFFAOYSA-N
Compound name
1-benzofuran-6-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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

No literature data available for this compound.

Patent stripe

patents stripe