CID 15323364

55512-82-8

Structural Information

Molecular Formula

SMILES

C1=CSN=C1Br

InChI

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

InChIKey

OTNWEAKNUYQUKP-UHFFFAOYSA-N

Compound name

3-bromo-1,2-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 333
Patents: 162.90913 Da
Monoisotopic Mass: 2.0
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	114.8
[M+Na]+	185.89835	129.3
[M-H]-	161.90185	121.1
[M+NH4]+	180.94295	140.6
[M+K]+	201.87229	119.4
[M+H-H2O]+	145.90639	116.1
[M+HCOO]-	207.90733	133.8
[M+CH3COO]-	221.92298	171.5
[M+Na-2H]-	183.88380	122.1
[M]+	162.90858	134.9
[M]-	162.90968	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe