CID 16217908

3-(3'-(trifluoromethyl)phenoxymethyl)phenylboronic acid

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

9
Patents

296.08316 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09044 161.8
[M+Na]+ 319.07238 169.2
[M-H]- 295.07588 162.1
[M+NH4]+ 314.11698 175.6
[M+K]+ 335.04632 164.8
[M+H-H2O]+ 279.08042 152.4
[M+HCOO]- 341.08136 177.7
[M+CH3COO]- 355.09701 196.6
[M+Na-2H]- 317.05783 164.9
[M]+ 296.08261 158.0
[M]- 296.08371 158.0
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