CID 2799648

85126-64-3

Structural Information

Molecular Formula

C₉H₁₀ClNOS

SMILES

CSC1=CC=CC(=C1)NC(=O)CCl

InChI

InChI=1S/C9H10ClNOS/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)

InChIKey

MVHJOIYPKBFDCH-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-methylsulfanylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 215.01717 Da
Monoisotopic Mass: 2.8
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]+	216.02445	144.1
[M+Na]+	238.00639	156.5
[M+NH4]+	233.05099	153.4
[M+K]+	253.98033	147.4
[M-H]-	214.00989	147.0
[M+Na-2H]-	235.99184	150.6
[M]+	215.01662	147.4
[M]-	215.01772	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe