CID 130119711

(6-fluoro-1-benzofuran-2-yl)boronic acid

Structural Information

Molecular Formula
C8H6BFO3
SMILES
B(C1=CC2=C(O1)C=C(C=C2)F)(O)O
InChI
InChI=1S/C8H6BFO3/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4,11-12H
InChIKey
WGYHKEUYLACLRS-UHFFFAOYSA-N
Compound name
(6-fluoro-1-benzofuran-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0394 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.046676 129.6
[M+Na]+ 203.028618 140.3
[M-H]- 179.032124 132.1
[M+NH4]+ 198.073223 150.3
[M+K]+ 219.002558 138.4
[M+H-H2O]+ 163.036660 124.4
[M+HCOO]- 225.037601 151.1
[M+CH3COO]- 239.053251 174.7
[M+Na-2H]- 201.014066 136.6
[M]+ 180.03885142 130.8
[M]- 180.03994858 130.8
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

No patent data available for this compound.