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

10
Patents

215.93568 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94296 129.0
[M+Na]+ 238.92490 146.6
[M-H]- 214.92840 136.1
[M+NH4]+ 233.96950 155.1
[M+K]+ 254.89884 136.2
[M+H-H2O]+ 198.93294 130.7
[M+HCOO]- 260.93388 148.3
[M+CH3COO]- 274.94953 147.0
[M+Na-2H]- 236.91035 134.8
[M]+ 215.93513 152.7
[M]- 215.93623 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