CID 11614571

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

Structural Information

Molecular Formula
C14H20BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CCC2=CC=C(C=C2)F
InChI
InChI=1S/C14H20BFO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-8H,9-10H2,1-4H3
InChIKey
PGTWKGNGGMDHAG-UHFFFAOYSA-N
Compound name
2-[2-(4-fluorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

250.15404 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16132 151.9
[M+Na]+ 273.14326 161.1
[M-H]- 249.14676 159.2
[M+NH4]+ 268.18786 172.9
[M+K]+ 289.11720 160.7
[M+H-H2O]+ 233.15130 146.6
[M+HCOO]- 295.15224 171.6
[M+CH3COO]- 309.16789 194.6
[M+Na-2H]- 271.12871 157.0
[M]+ 250.15349 154.2
[M]- 250.15459 154.2
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