CID 2392341

2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C15H14F3NO2
SMILES
CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C15H14F3NO2/c1-2-20-11-4-6-12(7-5-11)21-14-8-3-10(9-13(14)19)15(16,17)18/h3-9H,2,19H2,1H3
InChIKey
DICIENBIINLPFI-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

297.09766 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10494 164.9
[M+Na]+ 320.08688 173.6
[M-H]- 296.09038 167.7
[M+NH4]+ 315.13148 179.9
[M+K]+ 336.06082 169.3
[M+H-H2O]+ 280.09492 154.8
[M+HCOO]- 342.09586 184.9
[M+CH3COO]- 356.11151 204.7
[M+Na-2H]- 318.07233 168.4
[M]+ 297.09711 162.6
[M]- 297.09821 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.