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)pyridin-2-yl]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]+ 266.13582 152.2
[M+Na]+ 288.11776 162.7
[M-H]- 264.12126 158.7
[M+NH4]+ 283.16236 171.3
[M+K]+ 304.09170 162.9
[M+H-H2O]+ 248.12580 146.5
[M+HCOO]- 310.12674 170.4
[M+CH3COO]- 324.14239 197.7
[M+Na-2H]- 286.10321 156.2
[M]+ 265.12799 155.3
[M]- 265.12909 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.