CID 16218057

871126-25-9

Structural Information

Molecular Formula
C14H11BClF3O3
SMILES
B(C1=CC(=CC=C1)COC2=C(C=CC(=C2)C(F)(F)F)Cl)(O)O
InChI
InChI=1S/C14H11BClF3O3/c16-12-5-4-10(14(17,18)19)7-13(12)22-8-9-2-1-3-11(6-9)15(20)21/h1-7,20-21H,8H2
InChIKey
IRBNKOHBJCGIFU-UHFFFAOYSA-N
Compound name
[3-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

330.0442 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.05148 170.7
[M+Na]+ 353.03342 181.1
[M+NH4]+ 348.07802 175.6
[M+K]+ 369.00736 175.7
[M-H]- 329.03692 168.6
[M+Na-2H]- 351.01887 175.5
[M]+ 330.04365 171.6
[M]- 330.04475 171.6
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