CID 76430

2-bromothiazole

Structural Information

Molecular Formula

SMILES

C1=CSC(=N1)Br

InChI

InChI=1S/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H

InChIKey

RXNZFHIEDZEUQM-UHFFFAOYSA-N

Compound name

2-bromo-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 8330
Patents: 162.90913 Da
Monoisotopic Mass: 1.8
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]+	163.91641	116.6
[M+Na]+	185.89835	119.7
[M+NH4]+	180.94295	123.0
[M+K]+	201.87229	119.8
[M-H]-	161.90185	117.1
[M+Na-2H]-	183.88380	120.6
[M]+	162.90858	116.4
[M]-	162.90968	116.4

Literature stripe

literature stripe

Patent stripe

patents stripe