CID 24208790

3-fluoropyridine-4-boronic acid pinacol ester

Structural Information

Molecular Formula

C₁₁H₁₅BFNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)F

InChI

InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13/h5-7H,1-4H3

InChIKey

MLFGHAHGSVFKMI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 221
Patents: 223.11798 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.125256	142.1
[M+Na]+	246.107198	152.6
[M-H]-	222.110704	148.5
[M+NH4]+	241.151803	162.9
[M+K]+	262.081138	152.9
[M+H-H2O]+	206.115240	136.2
[M+HCOO]-	268.116181	161.6
[M+CH3COO]-	282.131831	188.2
[M+Na-2H]-	244.092646	148.6
[M]+	223.11743142	144.0
[M]-	223.11852858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe