CID 50989416

3,3,4,4,5,5-hexafluoropiperidine hydrochloride

Structural Information

Molecular Formula
C5H5F6N
SMILES
C1C(C(C(CN1)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H5F6N/c6-3(7)1-12-2-4(8,9)5(3,10)11/h12H,1-2H2
InChIKey
BHDLDCACIFYONK-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5-hexafluoropiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

193.03262 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03990 128.3
[M+Na]+ 216.02184 138.8
[M-H]- 192.02534 122.4
[M+NH4]+ 211.06644 151.5
[M+K]+ 231.99578 136.1
[M+H-H2O]+ 176.02988 120.0
[M+HCOO]- 238.03082 140.6
[M+CH3COO]- 252.04647 179.2
[M+Na-2H]- 214.00729 133.7
[M]+ 193.03207 115.8
[M]- 193.03317 115.8
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

patents stripe