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]+ 295.87388 114.4
[M+Na]+ 317.85582 126.3
[M-H]- 293.85932 123.4
[M+NH4]+ 312.90042 130.5
[M+K]+ 333.82976 113.9
[M+H-H2O]+ 277.86386 119.7
[M+HCOO]- 339.86480 127.1
[M+CH3COO]- 353.88045 203.1
[M+Na-2H]- 315.84127 120.7
[M]+ 294.86605 154.9
[M]- 294.86715 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.