CID 156636338

Tert-butyl 4-(4-bromo-2-fluorophenyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H21BrFNO2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C16H21BrFNO2/c1-16(2,3)21-15(20)19-8-6-11(7-9-19)13-5-4-12(17)10-14(13)18/h4-5,10-11H,6-9H2,1-3H3
InChIKey
FMEZBHIZDFVCJU-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-bromo-2-fluorophenyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

357.07397 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08125 178.3
[M+Na]+ 380.06319 187.2
[M-H]- 356.06669 184.3
[M+NH4]+ 375.10779 194.0
[M+K]+ 396.03713 175.9
[M+H-H2O]+ 340.07123 176.2
[M+HCOO]- 402.07217 191.3
[M+CH3COO]- 416.08782 208.9
[M+Na-2H]- 378.04864 180.1
[M]+ 357.07342 194.0
[M]- 357.07452 194.0
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