CID 22009835

70996-66-6

Structural Information

Molecular Formula

C₈H₈ClNO₂S

SMILES

C1=CSC(=C1)C(=O)CNC(=O)CCl

InChI

InChI=1S/C8H8ClNO2S/c9-4-8(12)10-5-6(11)7-2-1-3-13-7/h1-3H,4-5H2,(H,10,12)

InChIKey

DYAYRHYBDDIRTD-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 216.99643 Da
Monoisotopic Mass: 1.6
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]+	218.00371	145.8
[M+Na]+	239.98565	155.1
[M+NH4]+	235.03025	153.8
[M+K]+	255.95959	149.4
[M-H]-	215.98915	146.7
[M+Na-2H]-	237.97110	149.8
[M]+	216.99588	147.8
[M]-	216.99698	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe