CID 133662165

2223033-80-3

Structural Information

Molecular Formula

C₁₂H₁₇BFNO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2F)OC

InChI

InChI=1S/C12H17BFNO3/c1-11(2)12(3,4)18-13(17-11)8-7-15-10(16-5)6-9(8)14/h6-7H,1-5H3

InChIKey

VYZYBTVIJAEDDB-UHFFFAOYSA-N

Compound name

4-fluoro-2-methoxy-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: 253.12856 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]+	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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.