CID 3022060

Brn 6519101

Structural Information

Molecular Formula
C13H14F3NO2
SMILES
CN(C)C(=O)CCC(=O)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C13H14F3NO2/c1-17(2)12(19)7-6-11(18)9-4-3-5-10(8-9)13(14,15)16/h3-5,8H,6-7H2,1-2H3
InChIKey
KAHHHNFAHOXGRZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.09766 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10494 158.0
[M+Na]+ 296.08688 164.7
[M-H]- 272.09038 159.0
[M+NH4]+ 291.13148 174.5
[M+K]+ 312.06082 163.1
[M+H-H2O]+ 256.09492 149.0
[M+HCOO]- 318.09586 176.9
[M+CH3COO]- 332.11151 204.0
[M+Na-2H]- 294.07233 159.5
[M]+ 273.09711 156.3
[M]- 273.09821 156.3
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.