CID 150198981

Ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C8H10BrNO2S
SMILES
CCC1=C(SC(=N1)Br)C(=O)OCC
InChI
InChI=1S/C8H10BrNO2S/c1-3-5-6(7(11)12-4-2)13-8(9)10-5/h3-4H2,1-2H3
InChIKey
FPBGCDLKNXSIBS-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-4-ethyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

262.96155 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.968826 141.9
[M+Na]+ 285.950768 155.5
[M-H]- 261.954274 148.0
[M+NH4]+ 280.995373 164.1
[M+K]+ 301.924708 144.8
[M+H-H2O]+ 245.958810 142.3
[M+HCOO]- 307.959751 158.7
[M+CH3COO]- 321.975401 190.4
[M+Na-2H]- 283.936216 144.6
[M]+ 262.96100142 165.6
[M]- 262.96209858 165.6
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