CID 97102448

1969288-07-0

Structural Information

Molecular Formula
C14H16F4N2O2
SMILES
COC1=C(C=C(C=C1)[C@@H]2CCNC[C@@H]2NC(=O)C(F)(F)F)F
InChI
InChI=1S/C14H16F4N2O2/c1-22-12-3-2-8(6-10(12)15)9-4-5-19-7-11(9)20-13(21)14(16,17)18/h2-3,6,9,11,19H,4-5,7H2,1H3,(H,20,21)/t9-,11-/m0/s1
InChIKey
YEILSRWYXHGSSM-ONGXEEELSA-N
Compound name
2,2,2-trifluoro-N-[(3R,4S)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.11478 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12206 174.0
[M+Na]+ 343.10400 179.6
[M+NH4]+ 338.14860 176.8
[M+K]+ 359.07794 175.5
[M-H]- 319.10750 170.0
[M+Na-2H]- 341.08945 175.5
[M]+ 320.11423 173.0
[M]- 320.11533 173.0
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.