CID 133635045

2223049-37-2

Structural Information

Molecular Formula
C12H14BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)C#N)F
InChI
InChI=1S/C12H14BFN2O2/c1-11(2)12(3,4)18-13(17-11)9-6-5-8(7-15)16-10(9)14/h5-6H,1-4H3
InChIKey
CGODDKUVGXUNOA-UHFFFAOYSA-N
Compound name
6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11324 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12052 143.1
[M+Na]+ 271.10246 156.3
[M-H]- 247.10596 148.2
[M+NH4]+ 266.14706 160.9
[M+K]+ 287.07640 153.5
[M+H-H2O]+ 231.11050 130.3
[M+HCOO]- 293.11144 159.2
[M+CH3COO]- 307.12709 204.5
[M+Na-2H]- 269.08791 148.6
[M]+ 248.11269 140.4
[M]- 248.11379 140.4
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.