CID 165694142

2,5-dibromo-4-(2,2-dimethylpropyl)-1,3-thiazole

Structural Information

Molecular Formula
C8H11Br2NS
SMILES
CC(C)(C)CC1=C(SC(=N1)Br)Br
InChI
InChI=1S/C8H11Br2NS/c1-8(2,3)4-5-6(9)12-7(10)11-5/h4H2,1-3H3
InChIKey
YYRPHUVJOJMLNY-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-(2,2-dimethylpropyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.8979 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.90518 137.8
[M+Na]+ 333.88712 151.5
[M-H]- 309.89062 144.8
[M+NH4]+ 328.93172 158.6
[M+K]+ 349.86106 135.6
[M+H-H2O]+ 293.89516 146.8
[M+HCOO]- 355.89610 149.7
[M+CH3COO]- 369.91175 204.1
[M+Na-2H]- 331.87257 142.9
[M]+ 310.89735 174.4
[M]- 310.89845 174.4
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.