CID 16226988

2-chloro-n-[2-(phenylsulfanyl)phenyl]propanamide

Structural Information

Molecular Formula

C₁₅H₁₄ClNOS

SMILES

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)Cl

InChI

InChI=1S/C15H14ClNOS/c1-11(16)15(18)17-13-9-5-6-10-14(13)19-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)

InChIKey

IBLDQWLDRMLMDA-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-phenylsulfanylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.04846 Da
Monoisotopic Mass: 4.2
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]+	292.055736	163.4
[M+Na]+	314.037678	170.3
[M-H]-	290.041184	170.0
[M+NH4]+	309.082283	179.8
[M+K]+	330.011618	164.4
[M+H-H2O]+	274.045720	156.9
[M+HCOO]-	336.046661	177.1
[M+CH3COO]-	350.062311	200.6
[M+Na-2H]-	312.023126	165.1
[M]+	291.04791142	166.4
[M]-	291.04900858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.