CID 54592447

2-chloro-1-[3-(trifluoromethyl)piperidin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C8H11ClF3NO
SMILES
C1CC(CN(C1)C(=O)CCl)C(F)(F)F
InChI
InChI=1S/C8H11ClF3NO/c9-4-7(14)13-3-1-2-6(5-13)8(10,11)12/h6H,1-5H2
InChIKey
FUQMJOAWCZVPQW-UHFFFAOYSA-N
Compound name
2-chloro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.04813 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05541 144.1
[M+Na]+ 252.03735 151.3
[M-H]- 228.04085 141.7
[M+NH4]+ 247.08195 161.6
[M+K]+ 268.01129 147.7
[M+H-H2O]+ 212.04539 136.4
[M+HCOO]- 274.04633 153.5
[M+CH3COO]- 288.06198 186.2
[M+Na-2H]- 250.02280 146.5
[M]+ 229.04758 138.1
[M]- 229.04868 138.1
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