CID 46739432

1150271-75-2

Structural Information

Molecular Formula
C14H20BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)C)C
InChI
InChI=1S/C14H20BFO2/c1-9-7-11(12(16)8-10(9)2)15-17-13(3,4)14(5,6)18-15/h7-8H,1-6H3
InChIKey
MIEUCKKPTOQUFH-UHFFFAOYSA-N
Compound name
2-(2-fluoro-4,5-dimethylphenyl)-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 149.0
[M+Na]+ 273.14326 160.1
[M-H]- 249.14676 157.1
[M+NH4]+ 268.18786 170.7
[M+K]+ 289.11720 159.7
[M+H-H2O]+ 233.15130 144.5
[M+HCOO]- 295.15224 168.7
[M+CH3COO]- 309.16789 197.0
[M+Na-2H]- 271.12871 153.2
[M]+ 250.15349 152.2
[M]- 250.15459 152.2
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.