CID 16217908

870778-98-6

Structural Information

Molecular Formula
C14H12BF3O3
SMILES
B(C1=CC(=CC=C1)COC2=CC=CC(=C2)C(F)(F)F)(O)O
InChI
InChI=1S/C14H12BF3O3/c16-14(17,18)11-4-2-6-13(8-11)21-9-10-3-1-5-12(7-10)15(19)20/h1-8,19-20H,9H2
InChIKey
TVFNNGHGIHZSDV-UHFFFAOYSA-N
Compound name
[3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

296.08316 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09044 167.6
[M+Na]+ 319.07238 177.1
[M+NH4]+ 314.11698 172.3
[M+K]+ 335.04632 172.0
[M-H]- 295.07588 165.4
[M+Na-2H]- 317.05783 172.4
[M]+ 296.08261 168.1
[M]- 296.08371 168.1
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

patents stripe