CID 14224553

4-bromo-3,5-dimethoxy-1,2-thiazole

Structural Information

Molecular Formula

C₅H₆BrNO₂S

SMILES

COC1=C(C(=NS1)OC)Br

InChI

InChI=1S/C5H6BrNO2S/c1-8-4-3(6)5(9-2)10-7-4/h1-2H3

InChIKey

QXUSWDSZOXPYAV-UHFFFAOYSA-N

Compound name

4-bromo-3,5-dimethoxy-1,2-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.93027 Da
Monoisotopic Mass: 2.3
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]+	223.93755	128.6
[M+Na]+	245.91949	143.5
[M-H]-	221.92299	135.1
[M+NH4]+	240.96409	152.4
[M+K]+	261.89343	133.6
[M+H-H2O]+	205.92753	129.5
[M+HCOO]-	267.92847	147.3
[M+CH3COO]-	281.94412	182.7
[M+Na-2H]-	243.90494	133.8
[M]+	222.92972	152.6
[M]-	222.93082	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.