CID 118140654

2-bromo-6-methylimidazo[2,1-b][1,3]thiazole

Structural Information

Molecular Formula
C6H5BrN2S
SMILES
CC1=CN2C=C(SC2=N1)Br
InChI
InChI=1S/C6H5BrN2S/c1-4-2-9-3-5(7)10-6(9)8-4/h2-3H,1H3
InChIKey
GVKMBGJERMFABS-UHFFFAOYSA-N
Compound name
2-bromo-6-methylimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.93568 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.942956 129.0
[M+Na]+ 238.924898 146.6
[M-H]- 214.928404 136.1
[M+NH4]+ 233.969503 155.1
[M+K]+ 254.898838 136.2
[M+H-H2O]+ 198.932940 130.7
[M+HCOO]- 260.933881 148.3
[M+CH3COO]- 274.949531 147.0
[M+Na-2H]- 236.910346 134.8
[M]+ 215.93513142 152.7
[M]- 215.93622858 152.7
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