CID 133675668

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

Structural Information

Molecular Formula
C12H14BF4NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2)C(F)(F)F)F
InChI
InChI=1S/C12H14BF4NO2/c1-10(2)11(3,4)20-13(19-10)7-5-6-18-9(8(7)14)12(15,16)17/h5-6H,1-4H3
InChIKey
NLAPOZSIEFVQQD-UHFFFAOYSA-N
Compound name
3-fluoro-4-(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

291.10538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11266 155.0
[M+Na]+ 314.09460 166.6
[M-H]- 290.09810 157.8
[M+NH4]+ 309.13920 173.2
[M+K]+ 330.06854 165.9
[M+H-H2O]+ 274.10264 147.2
[M+HCOO]- 336.10358 169.3
[M+CH3COO]- 350.11923 200.5
[M+Na-2H]- 312.08005 159.7
[M]+ 291.10483 153.5
[M]- 291.10593 153.5
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.