CID 89735167

1374342-20-7

Structural Information

Molecular Formula
C22H33BFNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CCN(CC3)C(=O)OC(C)(C)C)F
InChI
InChI=1S/C22H33BFNO4/c1-19(2,3)27-18(26)25-14-12-22(24,13-15-25)16-8-10-17(11-9-16)23-28-20(4,5)21(6,7)29-23/h8-11H,12-15H2,1-7H3
InChIKey
ILBAHYVUAZUPRF-UHFFFAOYSA-N
Compound name
tert-butyl 4-fluoro-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

405.24866 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.25594 191.1
[M+Na]+ 428.23788 197.5
[M-H]- 404.24138 199.2
[M+NH4]+ 423.28248 206.1
[M+K]+ 444.21182 197.9
[M+H-H2O]+ 388.24592 184.4
[M+HCOO]- 450.24686 202.0
[M+CH3COO]- 464.26251 221.8
[M+Na-2H]- 426.22333 192.5
[M]+ 405.24811 191.9
[M]- 405.24921 191.9
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