CID 92045611

2-(2-ethyl-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H20BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2F)CC
InChI
InChI=1S/C14H20BFO2/c1-6-10-8-7-9-11(16)12(10)15-17-13(2,3)14(4,5)18-15/h7-9H,6H2,1-5H3
InChIKey
DOYUNGCYWBNHEW-UHFFFAOYSA-N
Compound name
2-(2-ethyl-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15404 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16132 155.9
[M+Na]+ 273.14326 168.3
[M+NH4]+ 268.18786 166.7
[M+K]+ 289.11720 160.4
[M-H]- 249.14676 160.8
[M+Na-2H]- 271.12871 163.3
[M]+ 250.15349 159.5
[M]- 250.15459 159.5
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.