CID 4358270

2-(2,5-dichlorothiophen-3-yl)acetamide

Structural Information

Molecular Formula

C₆H₅Cl₂NOS

SMILES

C1=C(SC(=C1CC(=O)N)Cl)Cl

InChI

InChI=1S/C6H5Cl2NOS/c7-4-1-3(2-5(9)10)6(8)11-4/h1H,2H2,(H2,9,10)

InChIKey

MGTJNKBYTLLKCG-UHFFFAOYSA-N

Compound name

2-(2,5-dichlorothiophen-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.94688 Da
Monoisotopic Mass: 2.3
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]+	209.95416	141.0
[M+Na]+	231.93610	152.4
[M+NH4]+	226.98070	150.1
[M+K]+	247.91004	145.8
[M-H]-	207.93960	142.6
[M+Na-2H]-	229.92155	145.3
[M]+	208.94633	143.9
[M]-	208.94743	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe