CID 16427146

Ethyl 2,5-dibromothiazole-4-carboxylate

Structural Information

Molecular Formula

C₆H₅Br₂NO₂S

SMILES

CCOC(=O)C1=C(SC(=N1)Br)Br

InChI

InChI=1S/C6H5Br2NO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3

InChIKey

SAEIBOLCDWLABF-UHFFFAOYSA-N

Compound name

ethyl 2,5-dibromo-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 312.84076 Da
Monoisotopic Mass: 3.6
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]+	313.84804	140.4
[M+Na]+	335.82998	134.6
[M+NH4]+	330.87458	142.1
[M+K]+	351.80392	142.0
[M-H]-	311.83348	140.1
[M+Na-2H]-	333.81543	141.0
[M]+	312.84021	138.5
[M]-	312.84131	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe