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

24
Patents

192.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.066666 134.7
[M+Na]+ 215.048608 144.7
[M-H]- 191.052114 138.4
[M+NH4]+ 210.093213 155.0
[M+K]+ 231.022548 143.7
[M+H-H2O]+ 175.056650 130.1
[M+HCOO]- 237.057591 157.1
[M+CH3COO]- 251.073241 177.1
[M+Na-2H]- 213.034056 141.8
[M]+ 192.05884142 138.9
[M]- 192.05993858 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