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 172.4
[M+Na]+ 346.10252 179.2
[M-H]- 322.10602 174.9
[M+NH4]+ 341.14712 186.0
[M+K]+ 362.07646 174.6
[M+H-H2O]+ 306.11056 161.7
[M+HCOO]- 368.11150 191.5
[M+CH3COO]- 382.12715 210.1
[M+Na-2H]- 344.08797 175.4
[M]+ 323.11275 170.1
[M]- 323.11385 170.1
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.