CID 90854159

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.15404 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16132 150.5
[M+Na]+ 273.14326 160.7
[M-H]- 249.14676 158.2
[M+NH4]+ 268.18786 171.9
[M+K]+ 289.11720 160.3
[M+H-H2O]+ 233.15130 145.6
[M+HCOO]- 295.15224 170.2
[M+CH3COO]- 309.16789 195.8
[M+Na-2H]- 271.12871 155.2
[M]+ 250.15349 153.3
[M]- 250.15459 153.3
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

patents stripe