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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.120576	172.4
[M+Na]+	346.102518	179.2
[M-H]-	322.106024	174.9
[M+NH4]+	341.147123	186.0
[M+K]+	362.076458	174.6
[M+H-H2O]+	306.110560	161.7
[M+HCOO]-	368.111501	191.5
[M+CH3COO]-	382.127151	210.1
[M+Na-2H]-	344.087966	175.4
[M]+	323.11275142	170.1
[M]-	323.11384858	170.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.