CID 66521222

2,5-dibromo-4-cyclobutyl-1,3-thiazole

Structural Information

Molecular Formula
C7H7Br2NS
SMILES
C1CC(C1)C2=C(SC(=N2)Br)Br
InChI
InChI=1S/C7H7Br2NS/c8-6-5(4-2-1-3-4)10-7(9)11-6/h4H,1-3H2
InChIKey
XBMDWXJCLMQFKT-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-cyclobutyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.8666 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.873876 114.4
[M+Na]+ 317.855818 126.3
[M-H]- 293.859324 123.4
[M+NH4]+ 312.900423 130.5
[M+K]+ 333.829758 113.9
[M+H-H2O]+ 277.863860 119.7
[M+HCOO]- 339.864801 127.1
[M+CH3COO]- 353.880451 203.1
[M+Na-2H]- 315.841266 120.7
[M]+ 294.86605142 154.9
[M]- 294.86714858 154.9
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

No patent data available for this compound.