CID 129946446

1969279-41-1

Structural Information

Molecular Formula
C11H14BF2NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2F)F
InChI
InChI=1S/C11H14BF2NO2/c1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13/h5-6H,1-4H3
InChIKey
KAIQHNHNSAERFP-UHFFFAOYSA-N
Compound name
2,4-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10857 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11585 153.5
[M+Na]+ 264.09779 165.0
[M+NH4]+ 259.14239 162.7
[M+K]+ 280.07173 158.0
[M-H]- 240.10129 155.8
[M+Na-2H]- 262.08324 159.9
[M]+ 241.10802 156.0
[M]- 241.10912 156.0
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.