CID 124253926

2-methoxy-5-trifluoromethoxyphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C14H18BF3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)OC(F)(F)F)OC
InChI
InChI=1S/C14H18BF3O4/c1-12(2)13(3,4)22-15(21-12)10-8-9(20-14(16,17)18)6-7-11(10)19-5/h6-8H,1-5H3
InChIKey
OJOKFHNAZLXTJQ-UHFFFAOYSA-N
Compound name
2-[2-methoxy-5-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12503 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13231 162.7
[M+Na]+ 341.11425 173.2
[M-H]- 317.11775 167.9
[M+NH4]+ 336.15885 181.1
[M+K]+ 357.08819 173.7
[M+H-H2O]+ 301.12229 156.5
[M+HCOO]- 363.12323 179.1
[M+CH3COO]- 377.13888 205.3
[M+Na-2H]- 339.09970 167.8
[M]+ 318.12448 165.6
[M]- 318.12558 165.6
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

No patent data available for this compound.