CID 165995195

2,4,6-trifluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C11H13BF3NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2F)F)F
InChI
InChI=1S/C11H13BF3NO2/c1-10(2)11(3,4)18-12(17-10)8-6(13)5-7(14)16-9(8)15/h5H,1-4H3
InChIKey
DEBSANMABTWRBY-UHFFFAOYSA-N
Compound name
2,4,6-trifluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.09915 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10643 146.7
[M+Na]+ 282.08837 159.1
[M-H]- 258.09187 151.1
[M+NH4]+ 277.13297 166.4
[M+K]+ 298.06231 158.5
[M+H-H2O]+ 242.09641 139.5
[M+HCOO]- 304.09735 164.0
[M+CH3COO]- 318.11300 196.2
[M+Na-2H]- 280.07382 150.8
[M]+ 259.09860 147.1
[M]- 259.09970 147.1
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.