CID 74789416

2121515-21-5

Structural Information

Molecular Formula
C12H14BClF3NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2C(F)(F)F)Cl
InChI
InChI=1S/C12H14BClF3NO2/c1-10(2)11(3,4)20-13(19-10)8-5-9(14)18-6-7(8)12(15,16)17/h5-6H,1-4H3
InChIKey
RSFBRSNYUZUDAM-UHFFFAOYSA-N
Compound name
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.07584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08312 157.4
[M+Na]+ 330.06506 169.5
[M-H]- 306.06856 161.3
[M+NH4]+ 325.10966 175.8
[M+K]+ 346.03900 167.3
[M+H-H2O]+ 290.07310 150.8
[M+HCOO]- 352.07404 168.2
[M+CH3COO]- 366.08969 201.4
[M+Na-2H]- 328.05051 162.2
[M]+ 307.07529 159.0
[M]- 307.07639 159.0
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.