CID 84719219

2241128-73-2

Structural Information

Molecular Formula
C6H8F5N
SMILES
C1CNCC(C1(F)F)C(F)(F)F
InChI
InChI=1S/C6H8F5N/c7-5(8)1-2-12-3-4(5)6(9,10)11/h4,12H,1-3H2
InChIKey
QQXOBLSUWRLFMO-UHFFFAOYSA-N
Compound name
4,4-difluoro-3-(trifluoromethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.0577 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06498 134.4
[M+Na]+ 212.04692 142.2
[M-H]- 188.05042 128.6
[M+NH4]+ 207.09152 153.8
[M+K]+ 228.02086 139.3
[M+H-H2O]+ 172.05496 125.6
[M+HCOO]- 234.05590 145.9
[M+CH3COO]- 248.07155 177.9
[M+Na-2H]- 210.03237 138.7
[M]+ 189.05715 121.5
[M]- 189.05825 121.5
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.