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

22
Patents

162.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.056106 127.3
[M+Na]+ 185.038048 137.0
[M-H]- 161.041554 130.8
[M+NH4]+ 180.082653 148.5
[M+K]+ 201.011988 135.6
[M+H-H2O]+ 145.046090 122.9
[M+HCOO]- 207.047031 149.9
[M+CH3COO]- 221.062681 170.8
[M+Na-2H]- 183.023496 135.6
[M]+ 162.04828142 129.2
[M]- 162.04937858 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