CID 131413197

2174000-03-2

Structural Information

Molecular Formula
C6H5BrN2S
SMILES
C1=C2N(C=N1)C(=CS2)CBr
InChI
InChI=1S/C6H5BrN2S/c7-1-5-3-10-6-2-8-4-9(5)6/h2-4H,1H2
InChIKey
MIVJVEFPSMASCK-UHFFFAOYSA-N
Compound name
3-(bromomethyl)imidazo[5,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.93568 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94296 129.2
[M+Na]+ 238.92490 146.0
[M-H]- 214.92840 135.9
[M+NH4]+ 233.96950 155.0
[M+K]+ 254.89884 135.7
[M+H-H2O]+ 198.93294 130.6
[M+HCOO]- 260.93388 148.6
[M+CH3COO]- 274.94953 146.9
[M+Na-2H]- 236.91035 135.6
[M]+ 215.93513 152.5
[M]- 215.93623 152.5
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.