CID 2763182

4-bromo-2-isopropyl-1,3-thiazole

Structural Information

Molecular Formula
C6H8BrNS
SMILES
CC(C)C1=NC(=CS1)Br
InChI
InChI=1S/C6H8BrNS/c1-4(2)6-8-5(7)3-9-6/h3-4H,1-2H3
InChIKey
MIHUGKROHGQVQY-UHFFFAOYSA-N
Compound name
4-bromo-2-propan-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

204.95609 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.963366 128.6
[M+Na]+ 227.945308 142.3
[M-H]- 203.948814 134.8
[M+NH4]+ 222.989913 152.9
[M+K]+ 243.919248 131.9
[M+H-H2O]+ 187.953350 129.4
[M+HCOO]- 249.954291 145.5
[M+CH3COO]- 263.969941 181.6
[M+Na-2H]- 225.930756 132.7
[M]+ 204.95554142 149.4
[M]- 204.95663858 149.4
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