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

4
Patents

312.07806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08534 164.8
[M+Na]+ 335.06728 172.0
[M-H]- 311.07078 165.0
[M+NH4]+ 330.11188 177.8
[M+K]+ 351.04122 168.3
[M+H-H2O]+ 295.07532 155.1
[M+HCOO]- 357.07626 180.9
[M+CH3COO]- 371.09191 198.7
[M+Na-2H]- 333.05273 168.0
[M]+ 312.07751 162.4
[M]- 312.07861 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