CID 46739343

1150271-61-6

Structural Information

Molecular Formula
C15H18BF3O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(F)(F)F)C(=O)OC
InChI
InChI=1S/C15H18BF3O4/c1-13(2)14(3,4)23-16(22-13)11-7-9(12(20)21-5)6-10(8-11)15(17,18)19/h6-8H,1-5H3
InChIKey
UDZGGUNDDHBCGY-UHFFFAOYSA-N
Compound name
methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

330.12503 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13231 178.5
[M+Na]+ 353.11425 186.4
[M+NH4]+ 348.15885 184.8
[M+K]+ 369.08819 181.2
[M-H]- 329.11775 177.6
[M+Na-2H]- 351.09970 181.8
[M]+ 330.12448 179.4
[M]- 330.12558 179.4
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