CID 84656072

4-(3,3-difluorobutyl)piperidine

Structural Information

Molecular Formula
C9H17F2N
SMILES
CC(CCC1CCNCC1)(F)F
InChI
InChI=1S/C9H17F2N/c1-9(10,11)5-2-8-3-6-12-7-4-8/h8,12H,2-7H2,1H3
InChIKey
LLZZUXJAGWPESL-UHFFFAOYSA-N
Compound name
4-(3,3-difluorobutyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.1329 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.14018 140.5
[M+Na]+ 200.12212 144.9
[M-H]- 176.12562 137.4
[M+NH4]+ 195.16672 158.3
[M+K]+ 216.09606 142.2
[M+H-H2O]+ 160.13016 132.8
[M+HCOO]- 222.13110 154.1
[M+CH3COO]- 236.14675 178.3
[M+Na-2H]- 198.10757 144.5
[M]+ 177.13235 131.8
[M]- 177.13345 131.8
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.