CID 41949

Brn 2142490

Structural Information

Molecular Formula

C₁₅H₁₅NO₃S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CNC2=CC=CC=C2

InChI

InChI=1S/C15H15NO3S/c1-20(18,19)14-9-7-12(8-10-14)15(17)11-16-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3

InChIKey

RZTKRLXEOWMDDH-UHFFFAOYSA-N

Compound name

2-anilino-1-(4-methylsulfonylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.07727 Da
Monoisotopic Mass: 2.6
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]+	290.084546	164.2
[M+Na]+	312.066488	171.2
[M-H]-	288.069994	170.9
[M+NH4]+	307.111093	179.5
[M+K]+	328.040428	166.7
[M+H-H2O]+	272.074530	156.7
[M+HCOO]-	334.075471	182.6
[M+CH3COO]-	348.091121	199.8
[M+Na-2H]-	310.051936	168.3
[M]+	289.07672142	166.5
[M]-	289.07781858	166.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.