CID 137952249

3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C13H17BF3NO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C(F)(F)F)OC
InChI
InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)8-6-9(19-5)10(18-7-8)13(15,16)17/h6-7H,1-5H3
InChIKey
RVTUGLUKHRGCIL-UHFFFAOYSA-N
Compound name
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12537 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13265 159.4
[M+Na]+ 326.11459 170.4
[M-H]- 302.11809 163.4
[M+NH4]+ 321.15919 177.2
[M+K]+ 342.08853 170.5
[M+H-H2O]+ 286.12263 152.4
[M+HCOO]- 348.12357 174.7
[M+CH3COO]- 362.13922 202.8
[M+Na-2H]- 324.10004 164.5
[M]+ 303.12482 161.0
[M]- 303.12592 161.0
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.