CID 138991337

2309467-48-7

Structural Information

Molecular Formula
C12H21BrFNO2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(CBr)F
InChI
InChI=1S/C12H21BrFNO2/c1-12(2,3)17-11(16)15-6-4-9(5-7-15)10(14)8-13/h9-10H,4-8H2,1-3H3
InChIKey
QZGQACKPVVHBFI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-bromo-1-fluoroethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.07397 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08125 167.5
[M+Na]+ 332.06319 175.2
[M-H]- 308.06669 170.1
[M+NH4]+ 327.10779 184.9
[M+K]+ 348.03713 165.2
[M+H-H2O]+ 292.07123 166.2
[M+HCOO]- 354.07217 179.5
[M+CH3COO]- 368.08782 200.4
[M+Na-2H]- 330.04864 169.2
[M]+ 309.07342 182.9
[M]- 309.07452 182.9
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

No patent data available for this compound.