CID 13408838

Brn 6527843

Structural Information

Molecular Formula
C17H20F3NO2
SMILES
C1CCC(CC1)NC(=O)CCC(=O)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C17H20F3NO2/c18-17(19,20)13-6-4-5-12(11-13)15(22)9-10-16(23)21-14-7-2-1-3-8-14/h4-6,11,14H,1-3,7-10H2,(H,21,23)
InChIKey
ZOPBIJHCHIOAKF-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.14462 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15190 174.9
[M+Na]+ 350.13384 177.8
[M-H]- 326.13734 176.0
[M+NH4]+ 345.17844 187.7
[M+K]+ 366.10778 173.8
[M+H-H2O]+ 310.14188 164.5
[M+HCOO]- 372.14282 188.9
[M+CH3COO]- 386.15847 209.4
[M+Na-2H]- 348.11929 174.6
[M]+ 327.14407 166.5
[M]- 327.14517 166.5
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

No patent data available for this compound.