CID 2772172

507458-95-9

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₃S

SMILES

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)CCl

InChI

InChI=1S/C12H14ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-5,11H,6-9H2

InChIKey

KDRMKEHJVHITKA-UHFFFAOYSA-N

Compound name

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 287.0383 Da
Monoisotopic Mass: 1.5
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]+	288.04558	161.7
[M+Na]+	310.02752	169.5
[M-H]-	286.03102	170.0
[M+NH4]+	305.07212	182.6
[M+K]+	326.00146	166.0
[M+H-H2O]+	270.03556	156.7
[M+HCOO]-	332.03650	176.7
[M+CH3COO]-	346.05215	196.9
[M+Na-2H]-	308.01297	162.6
[M]+	287.03775	165.3
[M]-	287.03885	165.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.