CID 72221151

2376922-64-2

Structural Information

Molecular Formula
C15H20BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)F)CC(=O)OC
InChI
InChI=1S/C15H20BFO4/c1-14(2)15(3,4)21-16(20-14)12-9-11(17)7-6-10(12)8-13(18)19-5/h6-7,9H,8H2,1-5H3
InChIKey
GJNHBPBKCKSSKU-UHFFFAOYSA-N
Compound name
methyl 2-[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
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 160.5
[M+Na]+ 317.13308 170.1
[M-H]- 293.13658 168.2
[M+NH4]+ 312.17768 179.9
[M+K]+ 333.10702 170.6
[M+H-H2O]+ 277.14112 155.6
[M+HCOO]- 339.14206 179.5
[M+CH3COO]- 353.15771 202.5
[M+Na-2H]- 315.11853 163.9
[M]+ 294.14331 165.3
[M]- 294.14441 165.3
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.