CID 86346261

Dtxsid701036097

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 147.6
[M+Na]+ 253.08065 155.9
[M-H]- 229.08415 151.0
[M+NH4]+ 248.12525 164.5
[M+K]+ 269.05459 151.6
[M+H-H2O]+ 213.08869 140.4
[M+HCOO]- 275.08963 167.5
[M+CH3COO]- 289.10528 187.4
[M+Na-2H]- 251.06610 151.0
[M]+ 230.09088 145.3
[M]- 230.09198 145.3
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.