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

146
Patents

164.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.071746 130.1
[M+Na]+ 187.053688 137.7
[M-H]- 163.057194 132.8
[M+NH4]+ 182.098293 151.0
[M+K]+ 203.027628 136.6
[M+H-H2O]+ 147.061730 125.7
[M+HCOO]- 209.062671 149.7
[M+CH3COO]- 223.078321 171.3
[M+Na-2H]- 185.039136 136.4
[M]+ 164.06392142 129.1
[M]- 164.06501858 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