CID 86346261

1698890-39-9

Structural Information

Molecular Formula
C13H12BFO2
SMILES
B(C1=C(C=C(C=C1)C2=CC=C(C=C2)C)F)(O)O
InChI
InChI=1S/C13H12BFO2/c1-9-2-4-10(5-3-9)11-6-7-12(14(16)17)13(15)8-11/h2-8,16-17H,1H3
InChIKey
MYHSTSVKRIAPRG-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(4-methylphenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.09143 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09871 150.8
[M+Na]+ 253.08065 164.5
[M+NH4]+ 248.12525 158.7
[M+K]+ 269.05459 157.9
[M-H]- 229.08415 153.3
[M+Na-2H]- 251.06610 158.6
[M]+ 230.09088 153.5
[M]- 230.09198 153.5
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.