CID 3022067

Brn 6522813

Structural Information

Molecular Formula
C15H18F3NO2
SMILES
CCC(C)NC(=O)CCC(=O)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C15H18F3NO2/c1-3-10(2)19-14(21)8-7-13(20)11-5-4-6-12(9-11)15(16,17)18/h4-6,9-10H,3,7-8H2,1-2H3,(H,19,21)
InChIKey
ZLBAARCCDNQYSJ-UHFFFAOYSA-N
Compound name
N-butan-2-yl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.12897 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13625 167.9
[M+Na]+ 324.11819 173.3
[M-H]- 300.12169 167.0
[M+NH4]+ 319.16279 182.5
[M+K]+ 340.09213 170.4
[M+H-H2O]+ 284.12623 158.8
[M+HCOO]- 346.12717 184.6
[M+CH3COO]- 360.14282 207.5
[M+Na-2H]- 322.10364 167.8
[M]+ 301.12842 164.9
[M]- 301.12952 164.9
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.