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

30
Patents

204.95609 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96337 128.6
[M+Na]+ 227.94531 142.3
[M-H]- 203.94881 134.8
[M+NH4]+ 222.98991 152.9
[M+K]+ 243.91925 131.9
[M+H-H2O]+ 187.95335 129.4
[M+HCOO]- 249.95429 145.5
[M+CH3COO]- 263.96994 181.6
[M+Na-2H]- 225.93076 132.7
[M]+ 204.95554 149.4
[M]- 204.95664 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