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

10
Patents

262.96155 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.96883 141.9
[M+Na]+ 285.95077 155.5
[M-H]- 261.95427 148.0
[M+NH4]+ 280.99537 164.1
[M+K]+ 301.92471 144.8
[M+H-H2O]+ 245.95881 142.3
[M+HCOO]- 307.95975 158.7
[M+CH3COO]- 321.97540 190.4
[M+Na-2H]- 283.93622 144.6
[M]+ 262.96100 165.6
[M]- 262.96210 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