CID 16427146

208264-60-2

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.84804 130.5
[M+Na]+ 335.82998 144.0
[M-H]- 311.83348 137.5
[M+NH4]+ 330.87458 150.8
[M+K]+ 351.80392 128.9
[M+H-H2O]+ 295.83802 139.1
[M+HCOO]- 357.83896 143.7
[M+CH3COO]- 371.85461 202.2
[M+Na-2H]- 333.81543 135.5
[M]+ 312.84021 168.1
[M]- 312.84131 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe