CID 114722841

2246800-30-4

Structural Information

Molecular Formula
C8H6BFO3
SMILES
B(C1=CC2=C(O1)C(=CC=C2)F)(O)O
InChI
InChI=1S/C8H6BFO3/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4,11-12H
InChIKey
DAWCSQPYOXXIGQ-UHFFFAOYSA-N
Compound name
(7-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]+ 181.04668 129.6
[M+Na]+ 203.02862 140.3
[M-H]- 179.03212 132.1
[M+NH4]+ 198.07322 150.3
[M+K]+ 219.00256 138.4
[M+H-H2O]+ 163.03666 124.4
[M+HCOO]- 225.03760 151.1
[M+CH3COO]- 239.05325 174.7
[M+Na-2H]- 201.01407 136.6
[M]+ 180.03885 130.8
[M]- 180.03995 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.