CID 5181830

1-trifluoroacetyl piperidine

Structural Information

Molecular Formula
C7H10F3NO
SMILES
C1CCN(CC1)C(=O)C(F)(F)F
InChI
InChI=1S/C7H10F3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-5H2
InChIKey
BCJUMGSHTLYECD-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

352
Patents

181.07144 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07872 135.5
[M+Na]+ 204.06066 141.3
[M-H]- 180.06416 133.0
[M+NH4]+ 199.10526 153.7
[M+K]+ 220.03460 140.1
[M+H-H2O]+ 164.06870 127.0
[M+HCOO]- 226.06964 149.7
[M+CH3COO]- 240.08529 178.3
[M+Na-2H]- 202.04611 139.4
[M]+ 181.07089 126.7
[M]- 181.07199 126.7
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.