CID 44717535

874219-30-4

Structural Information

Molecular Formula
C12H15BFNO3
SMILES
B(C1=CC(=C(C=C1)F)C(=O)N2CCCCC2)(O)O
InChI
InChI=1S/C12H15BFNO3/c14-11-5-4-9(13(17)18)8-10(11)12(16)15-6-2-1-3-7-15/h4-5,8,17-18H,1-3,6-7H2
InChIKey
LWRYZTKUVJDPFY-UHFFFAOYSA-N
Compound name
[4-fluoro-3-(piperidine-1-carbonyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.1129 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12018 157.0
[M+Na]+ 274.10212 166.7
[M+NH4]+ 269.14672 163.0
[M+K]+ 290.07606 162.3
[M-H]- 250.10562 157.0
[M+Na-2H]- 272.08757 161.1
[M]+ 251.11235 157.9
[M]- 251.11345 157.9
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