CID 4123963

477334-17-1

Structural Information

Molecular Formula
C17H16F3NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C17H16F3NO2/c1-23-15-8-2-12(3-9-15)16(22)10-11-21-14-6-4-13(5-7-14)17(18,19)20/h2-9,21H,10-11H2,1H3
InChIKey
DDYIUSAOZYMJHN-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.1133 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12058 175.7
[M+Na]+ 346.10252 185.1
[M+NH4]+ 341.14712 180.5
[M+K]+ 362.07646 178.8
[M-H]- 322.10602 174.8
[M+Na-2H]- 344.08797 181.1
[M]+ 323.11275 176.5
[M]- 323.11385 176.5
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.