CID 45788773

2-bromo-4-cyclobutylthiazole

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]+ 217.96337 124.5
[M+Na]+ 239.94531 123.6
[M+NH4]+ 234.98991 127.5
[M+K]+ 255.91925 125.4
[M-H]- 215.94881 123.9
[M+Na-2H]- 237.93076 126.7
[M]+ 216.95554 122.4
[M]- 216.95664 122.4
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.