CID 74890167

2043770-91-6

Structural Information

Molecular Formula
C13H17BFNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C(=O)OC)F
InChI
InChI=1S/C13H17BFNO4/c1-12(2)13(3,4)20-14(19-12)8-6-9(15)10(16-7-8)11(17)18-5/h6-7H,1-5H3
InChIKey
OTRYFIRXQICOHR-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

281.12347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13075 155.4
[M+Na]+ 304.11269 165.8
[M-H]- 280.11619 162.0
[M+NH4]+ 299.15729 173.9
[M+K]+ 320.08663 166.7
[M+H-H2O]+ 264.12073 149.7
[M+HCOO]- 326.12167 173.8
[M+CH3COO]- 340.13732 199.2
[M+Na-2H]- 302.09814 159.6
[M]+ 281.12292 160.0
[M]- 281.12402 160.0
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