CID 16427144

(2,3-dihydro-1-benzofuran-7-yl)boronic acid

Structural Information

Molecular Formula
C8H9BO3
SMILES
B(C1=C2C(=CC=C1)CCO2)(O)O
InChI
InChI=1S/C8H9BO3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3,10-11H,4-5H2
InChIKey
JDOYUFYZFXCQJP-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-7-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

164.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07175 130.1
[M+Na]+ 187.05369 137.7
[M-H]- 163.05719 132.8
[M+NH4]+ 182.09829 151.0
[M+K]+ 203.02763 136.6
[M+H-H2O]+ 147.06173 125.7
[M+HCOO]- 209.06267 149.7
[M+CH3COO]- 223.07832 171.3
[M+Na-2H]- 185.03914 136.4
[M]+ 164.06392 129.1
[M]- 164.06502 129.1
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