CID 9834275

1026598-63-9

Structural Information

Molecular Formula
C6H8BrNS
SMILES
CC(C)C1=CSC(=N1)Br
InChI
InChI=1S/C6H8BrNS/c1-4(2)5-3-9-6(7)8-5/h3-4H,1-2H3
InChIKey
DIIPUVSYKDLNDN-UHFFFAOYSA-N
Compound name
2-bromo-4-propan-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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

No literature data available for this compound.

Patent stripe

patents stripe