CID 7131623

184582-26-1

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂S

SMILES

CC(=O)NCCC1=CC=C(S1)C(=O)CCl

InChI

InChI=1S/C10H12ClNO2S/c1-7(13)12-5-4-8-2-3-10(15-8)9(14)6-11/h2-3H,4-6H2,1H3,(H,12,13)

InChIKey

DZEALSULQGZRCA-UHFFFAOYSA-N

Compound name

N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 245.02773 Da
Monoisotopic Mass: 1.9
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]+	246.03501	154.5
[M+Na]+	268.01695	163.8
[M+NH4]+	263.06155	162.2
[M+K]+	283.99089	157.9
[M-H]-	244.02045	155.4
[M+Na-2H]-	266.00240	157.8
[M]+	245.02718	156.5
[M]-	245.02828	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe