CID 16217907

4-[4'-(trifluoromethoxy)phenoxymethyl]phenylboronic acid

Structural Information

Molecular Formula
C14H12BF3O4
SMILES
B(C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(F)(F)F)(O)O
InChI
InChI=1S/C14H12BF3O4/c16-14(17,18)22-13-7-5-12(6-8-13)21-9-10-1-3-11(4-2-10)15(19)20/h1-8,19-20H,9H2
InChIKey
BAJVPURXOFJFRW-UHFFFAOYSA-N
Compound name
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

312.07806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.085336 164.8
[M+Na]+ 335.067278 172.0
[M-H]- 311.070784 165.0
[M+NH4]+ 330.111883 177.8
[M+K]+ 351.041218 168.3
[M+H-H2O]+ 295.075320 155.1
[M+HCOO]- 357.076261 180.9
[M+CH3COO]- 371.091911 198.7
[M+Na-2H]- 333.052726 168.0
[M]+ 312.07751142 162.4
[M]- 312.07860858 162.4
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