CID 21838276

(2-methyl-1-benzofuran-3-yl)boronic acid

Structural Information

Molecular Formula
C9H9BO3
SMILES
B(C1=C(OC2=CC=CC=C12)C)(O)O
InChI
InChI=1S/C9H9BO3/c1-6-9(10(11)12)7-4-2-3-5-8(7)13-6/h2-5,11-12H,1H3
InChIKey
PYADFBPQKZAPAH-UHFFFAOYSA-N
Compound name
(2-methyl-1-benzofuran-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

176.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.071746 131.9
[M+Na]+ 199.053688 142.1
[M-H]- 175.057194 135.6
[M+NH4]+ 194.098293 152.9
[M+K]+ 215.027628 140.4
[M+H-H2O]+ 159.061730 127.5
[M+HCOO]- 221.062671 154.1
[M+CH3COO]- 235.078321 175.0
[M+Na-2H]- 197.039136 138.9
[M]+ 176.06392142 134.6
[M]- 176.06501858 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