CID 117753281

Tert-butyl 5-bromo-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C8H10BrNO2S
SMILES
CC(C)(C)OC(=O)C1=C(SC=N1)Br
InChI
InChI=1S/C8H10BrNO2S/c1-8(2,3)12-7(11)5-6(9)13-4-10-5/h4H,1-3H3
InChIKey
OKGMKPIEMPSIIQ-UHFFFAOYSA-N
Compound name
tert-butyl 5-bromo-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

262.96155 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.968826 144.5
[M+Na]+ 285.950768 157.7
[M-H]- 261.954274 150.6
[M+NH4]+ 280.995373 166.6
[M+K]+ 301.924708 147.4
[M+H-H2O]+ 245.958810 145.3
[M+HCOO]- 307.959751 160.0
[M+CH3COO]- 321.975401 189.0
[M+Na-2H]- 283.936216 148.4
[M]+ 262.96100142 167.3
[M]- 262.96209858 167.3
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