CID 1296992

2-[(4-chlorophenyl)sulfanyl]-n-[4-(trifluoromethoxy)phenyl]acetamide

Structural Information

Molecular Formula

C₁₅H₁₁ClF₃NO₂S

SMILES

C1=CC(=CC=C1NC(=O)CSC2=CC=C(C=C2)Cl)OC(F)(F)F

InChI

InChI=1S/C15H11ClF3NO2S/c16-10-1-7-13(8-2-10)23-9-14(21)20-11-3-5-12(6-4-11)22-15(17,18)19/h1-8H,9H2,(H,20,21)

InChIKey

QXXJIPSLNBZCMO-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 361.0151 Da
Monoisotopic Mass: 5.1
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]+	362.022376	173.7
[M+Na]+	384.004318	182.1
[M-H]-	360.007824	176.5
[M+NH4]+	379.048923	187.4
[M+K]+	399.978258	175.4
[M+H-H2O]+	344.012360	164.3
[M+HCOO]-	406.013301	184.0
[M+CH3COO]-	420.028951	210.7
[M+Na-2H]-	381.989766	175.1
[M]+	361.01455142	175.3
[M]-	361.01564858	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.