CID 122164207

1989638-02-9

Structural Information

Molecular Formula
C13H14F4N2O
SMILES
C1CNC[C@@H]([C@@H]1C2=CC(=CC=C2)F)NC(=O)C(F)(F)F
InChI
InChI=1S/C13H14F4N2O/c14-9-3-1-2-8(6-9)10-4-5-18-7-11(10)19-12(20)13(15,16)17/h1-3,6,10-11,18H,4-5,7H2,(H,19,20)/t10-,11-/m0/s1
InChIKey
VMPCYCLMXMGMPI-QWRGUYRKSA-N
Compound name
2,2,2-trifluoro-N-[(3R,4S)-4-(3-fluorophenyl)piperidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10422 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11150 162.6
[M+Na]+ 313.09344 167.9
[M-H]- 289.09694 160.6
[M+NH4]+ 308.13804 175.4
[M+K]+ 329.06738 162.8
[M+H-H2O]+ 273.10148 151.5
[M+HCOO]- 335.10242 174.7
[M+CH3COO]- 349.11807 199.5
[M+Na-2H]- 311.07889 163.8
[M]+ 290.10367 150.6
[M]- 290.10477 150.6
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.