CID 16781075

1432677-88-7

Structural Information

Molecular Formula
C15H13F4NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(COC2=CC(=CC=C2)F)N
InChI
InChI=1S/C15H13F4NO/c16-12-5-2-6-13(8-12)21-9-14(20)10-3-1-4-11(7-10)15(17,18)19/h1-8,14H,9,20H2
InChIKey
DKVHEFKXNOALTI-UHFFFAOYSA-N
Compound name
2-(3-fluorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09332 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10060 169.0
[M+Na]+ 322.08254 177.4
[M+NH4]+ 317.12714 173.5
[M+K]+ 338.05648 171.7
[M-H]- 298.08604 167.1
[M+Na-2H]- 320.06799 173.7
[M]+ 299.09277 169.4
[M]- 299.09387 169.4
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.