CID 64991039

1353959-24-6

Structural Information

Molecular Formula

SMILES

CC(C1=NC=CS1)Br

InChI

InChI=1S/C5H6BrNS/c1-4(6)5-7-2-3-8-5/h2-4H,1H3

InChIKey

YGEBLAJDJLNGHM-UHFFFAOYSA-N

Compound name

2-(1-bromoethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.94043 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]+	191.94771	124.8
[M+Na]+	213.92965	138.1
[M-H]-	189.93315	130.8
[M+NH4]+	208.97425	149.4
[M+K]+	229.90359	128.0
[M+H-H2O]+	173.93769	125.6
[M+HCOO]-	235.93863	142.1
[M+CH3COO]-	249.95428	177.8
[M+Na-2H]-	211.91510	130.0
[M]+	190.93988	144.9
[M]-	190.94098	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe