CID 52717

Brn 3001536

Structural Information

Molecular Formula
C16H20F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2CC2
InChI
InChI=1S/C16H20F3NO2/c1-11(20-7-8-22-15(21)13-5-6-13)9-12-3-2-4-14(10-12)16(17,18)19/h2-4,10-11,13,20H,5-9H2,1H3
InChIKey
KRTNAKJXZQXXAY-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14462 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15190 163.3
[M+Na]+ 338.13384 169.8
[M-H]- 314.13734 166.2
[M+NH4]+ 333.17844 172.8
[M+K]+ 354.10778 165.6
[M+H-H2O]+ 298.14188 153.5
[M+HCOO]- 360.14282 181.3
[M+CH3COO]- 374.15847 210.9
[M+Na-2H]- 336.11929 165.2
[M]+ 315.14407 163.5
[M]- 315.14517 163.5
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.