CID 38067

Brn 1291979

Structural Information

Molecular Formula
C15H19F3N2O
SMILES
C1CCN(CC1)C2=CC=C(C=C2)CCNC(=O)C(F)(F)F
InChI
InChI=1S/C15H19F3N2O/c16-15(17,18)14(21)19-9-8-12-4-6-13(7-5-12)20-10-2-1-3-11-20/h4-7H,1-3,8-11H2,(H,19,21)
InChIKey
AQEDEQXZVSOWPC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.14496 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15224 168.5
[M+Na]+ 323.13418 172.4
[M-H]- 299.13768 168.5
[M+NH4]+ 318.17878 181.3
[M+K]+ 339.10812 168.1
[M+H-H2O]+ 283.14222 157.4
[M+HCOO]- 345.14316 182.5
[M+CH3COO]- 359.15881 203.9
[M+Na-2H]- 321.11963 170.4
[M]+ 300.14441 159.8
[M]- 300.14551 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe