CID 350260

2-acetamido-5-bromo-1,3-thiazole

Structural Information

Molecular Formula

C₅H₅BrN₂OS

SMILES

CC(=O)NC1=NC=C(S1)Br

InChI

InChI=1S/C5H5BrN2OS/c1-3(9)8-5-7-2-4(6)10-5/h2H,1H3,(H,7,8,9)

InChIKey

LHWHLINDRWCHSN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 88
Patents: 219.9306 Da
Monoisotopic Mass: 2.2
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]+	220.93788	129.8
[M+Na]+	242.91982	143.0
[M-H]-	218.92332	135.9
[M+NH4]+	237.96442	153.0
[M+K]+	258.89376	132.1
[M+H-H2O]+	202.92786	129.7
[M+HCOO]-	264.92880	148.2
[M+CH3COO]-	278.94445	183.5
[M+Na-2H]-	240.90527	134.8
[M]+	219.93005	150.0
[M]-	219.93115	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe