CID 15680843

143381-72-0

Structural Information

Molecular Formula
C9H9BO3
SMILES
B(C1=CC2=C(O1)C=CC(=C2)C)(O)O
InChI
InChI=1S/C9H9BO3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5,11-12H,1H3
InChIKey
FPEHWPXLYXXAFZ-UHFFFAOYSA-N
Compound name
(5-methyl-1-benzofuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

176.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07175 131.9
[M+Na]+ 199.05369 142.1
[M-H]- 175.05719 135.6
[M+NH4]+ 194.09829 152.9
[M+K]+ 215.02763 140.4
[M+H-H2O]+ 159.06173 127.5
[M+HCOO]- 221.06267 154.1
[M+CH3COO]- 235.07832 175.0
[M+Na-2H]- 197.03914 138.9
[M]+ 176.06392 134.6
[M]- 176.06502 134.6
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