CID 5003607

25629-53-2

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)NS1)Br

InChI

InChI=1S/C4H4BrNOS/c1-2-3(5)4(7)6-8-2/h1H3,(H,6,7)

InChIKey

IYBZJJUVXDXTOF-UHFFFAOYSA-N

Compound name

4-bromo-5-methyl-1,2-thiazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 192.9197 Da
Monoisotopic Mass: 1.1
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]+	193.92698	124.6
[M+Na]+	215.90892	127.2
[M+NH4]+	210.95352	129.8
[M+K]+	231.88286	128.0
[M-H]-	191.91242	124.0
[M+Na-2H]-	213.89437	126.8
[M]+	192.91915	123.9
[M]-	192.92025	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe