CID 13408837

Brn 6520584

Structural Information

Molecular Formula
C14H16F3NO2
SMILES
CC(C)NC(=O)CCC(=O)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C14H16F3NO2/c1-9(2)18-13(20)7-6-12(19)10-4-3-5-11(8-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H,18,20)
InChIKey
FLLVDZGNRXKCEM-UHFFFAOYSA-N
Compound name
4-oxo-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1133 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12058 163.2
[M+Na]+ 310.10252 169.0
[M-H]- 286.10602 162.5
[M+NH4]+ 305.14712 178.4
[M+K]+ 326.07646 166.3
[M+H-H2O]+ 270.11056 154.2
[M+HCOO]- 332.11150 180.2
[M+CH3COO]- 346.12715 204.5
[M+Na-2H]- 308.08797 163.6
[M]+ 287.11275 159.8
[M]- 287.11385 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

No patent data available for this compound.