CID 164892226

2-(3-fluoro-2,6-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H20BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2OC)F)OC
InChI
InChI=1S/C14H20BFO4/c1-13(2)14(3,4)20-15(19-13)11-10(17-5)8-7-9(16)12(11)18-6/h7-8H,1-6H3
InChIKey
AOTUXWCOIFDRRS-UHFFFAOYSA-N
Compound name
2-(3-fluoro-2,6-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14386 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15114 155.5
[M+Na]+ 305.13308 166.4
[M-H]- 281.13658 163.6
[M+NH4]+ 300.17768 175.8
[M+K]+ 321.10702 167.2
[M+H-H2O]+ 265.14112 150.8
[M+HCOO]- 327.14206 175.6
[M+CH3COO]- 341.15771 201.2
[M+Na-2H]- 303.11853 160.1
[M]+ 282.14331 161.8
[M]- 282.14441 161.8
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.