CID 2827954

2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)-1-(piperidin-1-yl)propan-1-one

Structural Information

Molecular Formula
C11H10F11NO2
SMILES
C1CCN(CC1)C(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C11H10F11NO2/c12-7(9(15,16)17,6(24)23-4-2-1-3-5-23)25-11(21,22)8(13,14)10(18,19)20/h1-5H2
InChIKey
HWTUPPZVUGCCDA-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

397.0536 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.06088 178.2
[M+Na]+ 420.04282 184.6
[M-H]- 396.04632 166.5
[M+NH4]+ 415.08742 187.0
[M+K]+ 436.01676 181.6
[M+H-H2O]+ 380.05086 164.2
[M+HCOO]- 442.05180 176.7
[M+CH3COO]- 456.06745 216.9
[M+Na-2H]- 418.02827 179.8
[M]+ 397.05305 159.0
[M]- 397.05415 159.0
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

No patent data available for this compound.