CID 165993774

3-(2-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C14H21BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(C)(C)F
InChI
InChI=1S/C14H21BFNO2/c1-12(2,16)10-7-11(9-17-8-10)15-18-13(3,4)14(5,6)19-15/h7-9H,1-6H3
InChIKey
JBWLQADCVKBSMM-UHFFFAOYSA-N
Compound name
3-(2-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.16495 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17223 154.8
[M+Na]+ 288.15417 164.4
[M-H]- 264.15767 161.0
[M+NH4]+ 283.19877 174.0
[M+K]+ 304.12811 164.6
[M+H-H2O]+ 248.16221 149.3
[M+HCOO]- 310.16315 171.7
[M+CH3COO]- 324.17880 197.7
[M+Na-2H]- 286.13962 160.9
[M]+ 265.16440 157.3
[M]- 265.16550 157.3
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.