CID 2772171

392314-55-5

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₃S

SMILES

C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)CCl

InChI

InChI=1S/C12H12ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-7,11H,8-9H2

InChIKey

BEWCQLPDQMWGKR-UHFFFAOYSA-N

Compound name

2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 285.02264 Da
Monoisotopic Mass: 1.3
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]+	286.029916	160.5
[M+Na]+	308.011858	169.3
[M-H]-	284.015364	169.2
[M+NH4]+	303.056463	181.5
[M+K]+	323.985798	165.6
[M+H-H2O]+	268.019900	155.4
[M+HCOO]-	330.020841	176.9
[M+CH3COO]-	344.036491	196.6
[M+Na-2H]-	305.997306	162.2
[M]+	285.02209142	165.5
[M]-	285.02318858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe