CID 16217874

849062-06-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

312.07806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08534 170.4
[M+Na]+ 335.06728 179.3
[M+NH4]+ 330.11188 174.5
[M+K]+ 351.04122 174.8
[M-H]- 311.07078 167.7
[M+Na-2H]- 333.05273 174.7
[M]+ 312.07751 170.5
[M]- 312.07861 170.5
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