CID 59797345

2-[(e)-2-(2-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H18BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CC=C2F
InChI
InChI=1S/C14H18BFO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-7-5-6-8-12(11)16/h5-10H,1-4H3/b10-9+
InChIKey
LTSFNWIORFHERH-MDZDMXLPSA-N
Compound name
2-[(E)-2-(2-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 160.4
[M-H]- 247.13110 158.1
[M+NH4]+ 266.17220 171.9
[M+K]+ 287.10154 159.4
[M+H-H2O]+ 231.13564 145.6
[M+HCOO]- 293.13658 170.7
[M+CH3COO]- 307.15223 193.1
[M+Na-2H]- 269.11305 155.9
[M]+ 248.13783 152.3
[M]- 248.13893 152.3
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