CID 44717535

4-fluoro-3-(piperidin-1-ylcarbonyl)benzeneboronic acid

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 154.6
[M+Na]+ 274.10212 159.3
[M-H]- 250.10562 155.2
[M+NH4]+ 269.14672 168.5
[M+K]+ 290.07606 156.1
[M+H-H2O]+ 234.11016 146.3
[M+HCOO]- 296.11110 168.5
[M+CH3COO]- 310.12675 188.5
[M+Na-2H]- 272.08757 155.1
[M]+ 251.11235 147.7
[M]- 251.11345 147.7
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