CID 72220357

6-fluoro-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C12H17BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)F)OC
InChI
InChI=1S/C12H17BFNO3/c1-11(2)12(3,4)18-13(17-11)8-6-7-9(14)15-10(8)16-5/h6-7H,1-5H3
InChIKey
CJBCKFTZANUJMV-UHFFFAOYSA-N
Compound name
6-fluoro-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.12856 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.135836 148.9
[M+Na]+ 276.117778 159.7
[M-H]- 252.121284 155.4
[M+NH4]+ 271.162383 168.7
[M+K]+ 292.091718 160.3
[M+H-H2O]+ 236.125820 143.0
[M+HCOO]- 298.126761 168.2
[M+CH3COO]- 312.142411 194.5
[M+Na-2H]- 274.103226 154.4
[M]+ 253.12801142 153.0
[M]- 253.12910858 153.0
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