CID 22221596

551001-79-7

Structural Information

Molecular Formula
C9H9BO4
SMILES
B(C1=CC2=C(O1)C=CC(=C2)OC)(O)O
InChI
InChI=1S/C9H9BO4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5,11-12H,1H3
InChIKey
XLIQZZGLIJLKTF-UHFFFAOYSA-N
Compound name
(5-methoxy-1-benzofuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

192.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06667 134.7
[M+Na]+ 215.04861 144.7
[M-H]- 191.05211 138.4
[M+NH4]+ 210.09321 155.0
[M+K]+ 231.02255 143.7
[M+H-H2O]+ 175.05665 130.1
[M+HCOO]- 237.05759 157.1
[M+CH3COO]- 251.07324 177.1
[M+Na-2H]- 213.03406 141.8
[M]+ 192.05884 138.9
[M]- 192.05994 138.9
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