CID 57415697

3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol

Structural Information

Molecular Formula
C11H15BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC(=O)C(=C2)F
InChI
InChI=1S/C11H15BFNO3/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(15)14-6-7/h5-6H,1-4H3,(H,14,15)
InChIKey
PYHFMUZWRDHWKE-UHFFFAOYSA-N
Compound name
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

239.1129 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12018 144.7
[M+Na]+ 262.10212 155.9
[M-H]- 238.10562 150.1
[M+NH4]+ 257.14672 164.3
[M+K]+ 278.07606 155.1
[M+H-H2O]+ 222.11016 139.4
[M+HCOO]- 284.11110 163.0
[M+CH3COO]- 298.12675 188.4
[M+Na-2H]- 260.08757 150.3
[M]+ 239.11235 146.0
[M]- 239.11345 146.0
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

patents stripe