CID 46739379

2-acetamido-4-fluorobenzeneboronic acid, pinacol ester

Structural Information

Molecular Formula
C14H19BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)NC(=O)C
InChI
InChI=1S/C14H19BFNO3/c1-9(18)17-12-8-10(16)6-7-11(12)15-19-13(2,3)14(4,5)20-15/h6-8H,1-5H3,(H,17,18)
InChIKey
PRDXPRJIXNWRSJ-UHFFFAOYSA-N
Compound name
N-[5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1442 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15148 158.6
[M+Na]+ 302.13342 167.8
[M-H]- 278.13692 166.3
[M+NH4]+ 297.17802 178.2
[M+K]+ 318.10736 167.8
[M+H-H2O]+ 262.14146 153.4
[M+HCOO]- 324.14240 178.6
[M+CH3COO]- 338.15805 202.4
[M+Na-2H]- 300.11887 162.6
[M]+ 279.14365 160.8
[M]- 279.14475 160.8
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.