CID 7064104

2-chloro-n-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C14H16ClF3N2O
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCl
InChI
InChI=1S/C14H16ClF3N2O/c15-9-13(21)19-11-8-10(14(16,17)18)4-5-12(11)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2,(H,19,21)
InChIKey
RRKZSGBZHQBAPI-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.09033 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09761 169.5
[M+Na]+ 343.07955 175.6
[M-H]- 319.08305 169.9
[M+NH4]+ 338.12415 182.8
[M+K]+ 359.05349 169.7
[M+H-H2O]+ 303.08759 159.5
[M+HCOO]- 365.08853 179.4
[M+CH3COO]- 379.10418 205.8
[M+Na-2H]- 341.06500 170.9
[M]+ 320.08978 163.2
[M]- 320.09088 163.2
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.