CID 72221153

1431546-19-8

Structural Information

Molecular Formula
C15H20BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)CC(=O)OC
InChI
InChI=1S/C15H20BFO4/c1-14(2)15(3,4)21-16(20-14)11-6-7-12(17)10(8-11)9-13(18)19-5/h6-8H,9H2,1-5H3
InChIKey
NIRVVEKJKMRPFR-UHFFFAOYSA-N
Compound name
methyl 2-[2-fluoro-5-(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

2
Patents

294.14386 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15114 166.0
[M+Na]+ 317.13308 176.9
[M+NH4]+ 312.17768 175.0
[M+K]+ 333.10702 170.5
[M-H]- 293.13658 169.4
[M+Na-2H]- 315.11853 171.8
[M]+ 294.14331 168.7
[M]- 294.14441 168.7
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