CID 2824057

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

Structural Information

Molecular Formula
C7H8BrNO2S
SMILES
CCOC(=O)C1=C(N=C(S1)Br)C
InChI
InChI=1S/C7H8BrNO2S/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3
InChIKey
CFBIOWPDDZPIDP-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

404
Patents

248.9459 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.95318 137.4
[M+Na]+ 271.93512 151.4
[M-H]- 247.93862 143.6
[M+NH4]+ 266.97972 160.1
[M+K]+ 287.90906 140.9
[M+H-H2O]+ 231.94316 138.0
[M+HCOO]- 293.94410 154.5
[M+CH3COO]- 307.95975 187.6
[M+Na-2H]- 269.92057 140.5
[M]+ 248.94535 160.7
[M]- 248.94645 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe