CID 44717481

874289-11-9

Structural Information

Molecular Formula
C13H17BFNO3
SMILES
B(C1=CC(=C(C=C1)C(=O)NC2CCCCC2)F)(O)O
InChI
InChI=1S/C13H17BFNO3/c15-12-8-9(14(18)19)6-7-11(12)13(17)16-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H,16,17)
InChIKey
GUPNXIZRUYJZEV-UHFFFAOYSA-N
Compound name
[4-(cyclohexylcarbamoyl)-3-fluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.12854 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13582 160.5
[M+Na]+ 288.11776 168.9
[M+NH4]+ 283.16236 166.6
[M+K]+ 304.09170 164.4
[M-H]- 264.12126 161.4
[M+Na-2H]- 286.10321 164.5
[M]+ 265.12799 161.4
[M]- 265.12909 161.4
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