CID 129946690

1352645-88-5

Structural Information

Molecular Formula
C12H15BF3NO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C12H15BF3NO3/c1-10(2)11(3,4)20-13(19-10)8-6-5-7-9(17-8)18-12(14,15)16/h5-7H,1-4H3
InChIKey
VNXBJBZNUZKQBC-UHFFFAOYSA-N
Compound name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11698 155.8
[M+Na]+ 312.09892 166.2
[M-H]- 288.10242 159.5
[M+NH4]+ 307.14352 173.8
[M+K]+ 328.07286 166.5
[M+H-H2O]+ 272.10696 148.5
[M+HCOO]- 334.10790 171.4
[M+CH3COO]- 348.12355 198.6
[M+Na-2H]- 310.08437 161.8
[M]+ 289.10915 156.5
[M]- 289.11025 156.5
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.