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]+ 165.05178 131.1
[M+Na]+ 187.03372 141.9
[M-H]- 163.03722 130.3
[M+NH4]+ 182.07832 148.6
[M+K]+ 203.00766 137.7
[M+H-H2O]+ 147.04176 119.8
[M+HCOO]- 209.04270 145.9
[M+CH3COO]- 223.05835 182.6
[M+Na-2H]- 185.01917 134.6
[M]+ 164.04395 123.3
[M]- 164.04505 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.