CID 75487445

1-[3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethan-1-one

Structural Information

Molecular Formula
C13H17BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C(=O)C)F
InChI
InChI=1S/C13H17BFNO3/c1-8(17)11-10(15)6-9(7-16-11)14-18-12(2,3)13(4,5)19-14/h6-7H,1-5H3
InChIKey
OYHFWGVQTFDASZ-UHFFFAOYSA-N
Compound name
1-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12854 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.135816 152.2
[M+Na]+ 288.117758 162.7
[M-H]- 264.121264 158.7
[M+NH4]+ 283.162363 171.3
[M+K]+ 304.091698 162.9
[M+H-H2O]+ 248.125800 146.5
[M+HCOO]- 310.126741 170.4
[M+CH3COO]- 324.142391 197.7
[M+Na-2H]- 286.103206 156.2
[M]+ 265.12799142 155.3
[M]- 265.12908858 155.3
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.