CID 3056367

73758-28-8

Structural Information

Molecular Formula
C18H20F3NO
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC2=CC=CC=C2
InChI
InChI=1S/C18H20F3NO/c1-14(22-10-11-23-17-8-3-2-4-9-17)12-15-6-5-7-16(13-15)18(19,20)21/h2-9,13-14,22H,10-12H2,1H3
InChIKey
NBRMYRICPCKPGF-UHFFFAOYSA-N
Compound name
N-(2-phenoxyethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1497 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15698 175.0
[M+Na]+ 346.13892 180.2
[M-H]- 322.14242 176.9
[M+NH4]+ 341.18352 188.4
[M+K]+ 362.11286 175.4
[M+H-H2O]+ 306.14696 164.1
[M+HCOO]- 368.14790 193.3
[M+CH3COO]- 382.16355 210.7
[M+Na-2H]- 344.12437 178.0
[M]+ 323.14915 171.9
[M]- 323.15025 171.9
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.