CID 16792140

2165320-62-5

Structural Information

Molecular Formula
C15H14F3NO
SMILES
C1=CC=C(C=C1)C(COC2=CC=CC=C2C(F)(F)F)N
InChI
InChI=1S/C15H14F3NO/c16-15(17,18)12-8-4-5-9-14(12)20-10-13(19)11-6-2-1-3-7-11/h1-9,13H,10,19H2
InChIKey
QWIZJYQOXWXQGL-UHFFFAOYSA-N
Compound name
1-phenyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

281.10275 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11003 161.5
[M+Na]+ 304.09197 168.1
[M-H]- 280.09547 163.5
[M+NH4]+ 299.13657 176.4
[M+K]+ 320.06591 163.6
[M+H-H2O]+ 264.10001 151.3
[M+HCOO]- 326.10095 180.3
[M+CH3COO]- 340.11660 201.1
[M+Na-2H]- 302.07742 165.2
[M]+ 281.10220 156.4
[M]- 281.10330 156.4
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

patents stripe