CID 45788773

1159820-59-3

Structural Information

Molecular Formula
C7H8BrNS
SMILES
C1CC(C1)C2=CSC(=N2)Br
InChI
InChI=1S/C7H8BrNS/c8-7-9-6(4-10-7)5-2-1-3-5/h4-5H,1-3H2
InChIKey
HZLZIOSFAYISDN-UHFFFAOYSA-N
Compound name
2-bromo-4-cyclobutyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.95609 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.963366 118.9
[M+Na]+ 239.945308 130.3
[M-H]- 215.948814 127.4
[M+NH4]+ 234.989913 136.4
[M+K]+ 255.919248 122.8
[M+H-H2O]+ 199.953350 114.8
[M+HCOO]- 261.954291 135.3
[M+CH3COO]- 275.969941 185.1
[M+Na-2H]- 237.930756 124.1
[M]+ 216.95554142 145.6
[M]- 216.95663858 145.6
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.