CID 133635620

2-fluoro-4-methyl-5-cyclopropylphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C16H22BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)C)C3CC3
InChI
InChI=1S/C16H22BFO2/c1-10-8-14(18)13(9-12(10)11-6-7-11)17-19-15(2,3)16(4,5)20-17/h8-9,11H,6-7H2,1-5H3
InChIKey
QHTDYUFGEFDFRV-UHFFFAOYSA-N
Compound name
2-(5-cyclopropyl-2-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17696 153.5
[M+Na]+ 299.15890 165.0
[M-H]- 275.16240 165.0
[M+NH4]+ 294.20350 169.0
[M+K]+ 315.13284 165.0
[M+H-H2O]+ 259.16694 148.4
[M+HCOO]- 321.16788 171.8
[M+CH3COO]- 335.18353 203.9
[M+Na-2H]- 297.14435 157.1
[M]+ 276.16913 158.9
[M]- 276.17023 158.9
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.