CID 2781529

2-chloro-n-(4-phenyl-1,3-thiazol-2-yl)acetamide

Structural Information

Molecular Formula

C₁₁H₉ClN₂OS

SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl

InChI

InChI=1S/C11H9ClN2OS/c12-6-10(15)14-11-13-9(7-16-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,15)

InChIKey

FFAWPJLADWBKCB-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 252.0124 Da
Monoisotopic Mass: 2.7
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]+	253.01968	153.1
[M+Na]+	275.00162	162.3
[M-H]-	251.00512	159.1
[M+NH4]+	270.04622	171.8
[M+K]+	290.97556	157.0
[M+H-H2O]+	235.00966	146.6
[M+HCOO]-	297.01060	168.7
[M+CH3COO]-	311.02625	165.8
[M+Na-2H]-	272.98707	155.1
[M]+	252.01185	156.4
[M]-	252.01295	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe