CID 2392313

N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide

Structural Information

Molecular Formula

C₅H₄BrClN₂OS

SMILES

C1=C(SC(=N1)NC(=O)CCl)Br

InChI

InChI=1S/C5H4BrClN2OS/c6-3-2-8-5(11-3)9-4(10)1-7/h2H,1H2,(H,8,9,10)

InChIKey

DRUYVFJOLFMSOA-UHFFFAOYSA-N

Compound name

N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 253.89162 Da
Monoisotopic Mass: 2.1
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]+	254.89890	135.2
[M+Na]+	276.88084	149.2
[M-H]-	252.88434	141.2
[M+NH4]+	271.92544	157.9
[M+K]+	292.85478	136.4
[M+H-H2O]+	236.88888	135.9
[M+HCOO]-	298.88982	149.2
[M+CH3COO]-	312.90547	187.1
[M+Na-2H]-	274.86629	139.9
[M]+	253.89107	156.9
[M]-	253.89217	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe