CID 2773380

2,3-dihydrobenzofuran-5-ylboronic acid

Structural Information

Molecular Formula
C8H9BO3
SMILES
B(C1=CC2=C(C=C1)OCC2)(O)O
InChI
InChI=1S/C8H9BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5,10-11H,3-4H2
InChIKey
ZIXLJHSFAMVHPC-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-5-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

930
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

literature stripe

Patent stripe

patents stripe