CID 46785648

1094417-81-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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

No literature data available for this compound.

Patent stripe

patents stripe