CID 44717770

850567-55-4

Structural Information

Molecular Formula
C14H18BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H18BFO2/c1-10(11-6-8-12(16)9-7-11)15-17-13(2,3)14(4,5)18-15/h6-9H,1H2,2-5H3
InChIKey
BNROZDXKAQJDJC-UHFFFAOYSA-N
Compound name
2-[1-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

248.13838 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14566 150.7
[M+Na]+ 271.12760 160.0
[M-H]- 247.13110 158.1
[M+NH4]+ 266.17220 171.7
[M+K]+ 287.10154 159.4
[M+H-H2O]+ 231.13564 145.7
[M+HCOO]- 293.13658 169.6
[M+CH3COO]- 307.15223 194.7
[M+Na-2H]- 269.11305 154.7
[M]+ 248.13783 151.7
[M]- 248.13893 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe