CID 1805993

21403-27-0

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C7H8ClNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)

InChIKey

QCBIGIIQNNEGTC-UHFFFAOYSA-N

Compound name

2-chloro-N-(thiophen-2-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.00151 Da
Monoisotopic Mass: 1.4
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]+	190.00879	138.5
[M+Na]+	211.99073	148.9
[M+NH4]+	207.03533	147.7
[M+K]+	227.96467	142.2
[M-H]-	187.99423	140.4
[M+Na-2H]-	209.97618	143.6
[M]+	189.00096	141.1
[M]-	189.00206	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.