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 158.9
[M+Na]+ 317.13308 169.4
[M-H]- 293.13658 167.0
[M+NH4]+ 312.17768 178.6
[M+K]+ 333.10702 170.0
[M+H-H2O]+ 277.14112 154.4
[M+HCOO]- 339.14206 177.9
[M+CH3COO]- 353.15771 203.8
[M+Na-2H]- 315.11853 161.9
[M]+ 294.14331 164.1
[M]- 294.14441 164.1
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.