CID 165942515

Methyl 4-fluoro-5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Structural Information

Molecular Formula
C15H20BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C(=O)OC)C)F
InChI
InChI=1S/C15H20BFO4/c1-9-7-10(13(18)19-6)11(8-12(9)17)16-20-14(2,3)15(4,5)21-16/h7-8H,1-6H3
InChIKey
WGDJJOQDUXPLKA-UHFFFAOYSA-N
Compound name
methyl 4-fluoro-5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14386 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15114 165.6
[M+Na]+ 317.13308 176.8
[M+NH4]+ 312.17768 174.5
[M+K]+ 333.10702 170.6
[M-H]- 293.13658 169.0
[M+Na-2H]- 315.11853 171.2
[M]+ 294.14331 168.4
[M]- 294.14441 168.4
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

No patent data available for this compound.