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 118.9
[M+Na]+ 239.94531 130.3
[M-H]- 215.94881 127.4
[M+NH4]+ 234.98991 136.4
[M+K]+ 255.91925 122.8
[M+H-H2O]+ 199.95335 114.8
[M+HCOO]- 261.95429 135.3
[M+CH3COO]- 275.96994 185.1
[M+Na-2H]- 237.93076 124.1
[M]+ 216.95554 145.6
[M]- 216.95664 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.