CID 155970379

(2-ethynyl-5-fluorophenyl)boronic acid

Structural Information

Molecular Formula
C8H6BFO2
SMILES
B(C1=C(C=CC(=C1)F)C#C)(O)O
InChI
InChI=1S/C8H6BFO2/c1-2-6-3-4-7(10)5-8(6)9(11)12/h1,3-5,11-12H
InChIKey
HYBTWWYRQBOGGU-UHFFFAOYSA-N
Compound name
(2-ethynyl-5-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.0445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.051776 131.1
[M+Na]+ 187.033718 141.9
[M-H]- 163.037224 130.3
[M+NH4]+ 182.078323 148.6
[M+K]+ 203.007658 137.7
[M+H-H2O]+ 147.041760 119.8
[M+HCOO]- 209.042701 145.9
[M+CH3COO]- 223.058351 182.6
[M+Na-2H]- 185.019166 134.6
[M]+ 164.04395142 123.3
[M]- 164.04504858 123.3
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.