CID 130067295

1824620-38-3

Structural Information

Molecular Formula

C₆H₅BrN₂OS

SMILES

C1CNC(=O)C2=C1SC(=N2)Br

InChI

InChI=1S/C6H5BrN2OS/c7-6-9-4-3(11-6)1-2-8-5(4)10/h1-2H2,(H,8,10)

InChIKey

OXZOWWMLAVWUHK-UHFFFAOYSA-N

Compound name

2-bromo-6,7-dihydro-5H-[1,3]thiazolo[4,5-c]pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.9306 Da
Monoisotopic Mass: 1.7
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]+	232.937876	132.0
[M+Na]+	254.919818	145.9
[M-H]-	230.923324	136.2
[M+NH4]+	249.964423	154.4
[M+K]+	270.893758	134.2
[M+H-H2O]+	214.927860	133.3
[M+HCOO]-	276.928801	145.3
[M+CH3COO]-	290.944451	147.3
[M+Na-2H]-	252.905266	137.4
[M]+	231.93005142	149.8
[M]-	231.93114858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.