CID 52709

Brn 2991889

Structural Information

Molecular Formula
C14H18F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C
InChI
InChI=1S/C14H18F3NO2/c1-10(18-6-7-20-11(2)19)8-12-4-3-5-13(9-12)14(15,16)17/h3-5,9-10,18H,6-8H2,1-2H3
InChIKey
LEGNVDGRHFMLSF-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12897 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13625 165.0
[M+Na]+ 312.11819 170.8
[M-H]- 288.12169 164.2
[M+NH4]+ 307.16279 180.3
[M+K]+ 328.09213 168.1
[M+H-H2O]+ 272.12623 155.8
[M+HCOO]- 334.12717 182.8
[M+CH3COO]- 348.14282 204.5
[M+Na-2H]- 310.10364 166.5
[M]+ 289.12842 163.0
[M]- 289.12952 163.0
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.