CID 11196524

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

Structural Information

Molecular Formula
C6H5BrClNO2S
SMILES
CCOC(=O)C1=C(SC(=N1)Br)Cl
InChI
InChI=1S/C6H5BrClNO2S/c1-2-11-5(10)3-4(8)12-6(7)9-3/h2H2,1H3
InChIKey
GNUVSLOHOLUDJE-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-5-chloro-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

46
Patents

268.8913 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.89858 137.8
[M+Na]+ 291.88052 153.1
[M-H]- 267.88402 144.3
[M+NH4]+ 286.92512 160.6
[M+K]+ 307.85446 141.0
[M+H-H2O]+ 251.88856 139.3
[M+HCOO]- 313.88950 150.9
[M+CH3COO]- 327.90515 188.4
[M+Na-2H]- 289.86597 141.2
[M]+ 268.89075 162.3
[M]- 268.89185 162.3
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