CID 67364860

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

Structural Information

Molecular Formula
C13H17BF3NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)C(F)(F)F)C
InChI
InChI=1S/C13H17BF3NO2/c1-8-6-9(7-10(18-8)13(15,16)17)14-19-11(2,3)12(4,5)20-14/h6-7H,1-5H3
InChIKey
HWXUCKBKLLHQIS-UHFFFAOYSA-N
Compound name
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

287.13043 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.137706 156.2
[M+Na]+ 310.119648 167.4
[M-H]- 286.123154 160.2
[M+NH4]+ 305.164253 174.7
[M+K]+ 326.093588 166.8
[M+H-H2O]+ 270.127690 149.2
[M+HCOO]- 332.128631 171.3
[M+CH3COO]- 346.144281 200.7
[M+Na-2H]- 308.105096 161.0
[M]+ 287.12988142 156.3
[M]- 287.13097858 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe