CID 133056893

2-bromo-4-iodo-1,3-benzothiazole

Structural Information

Molecular Formula
C7H3BrINS
SMILES
C1=CC2=C(C(=C1)I)N=C(S2)Br
InChI
InChI=1S/C7H3BrINS/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H
InChIKey
ZYJPYUMSNIMTLD-UHFFFAOYSA-N
Compound name
2-bromo-4-iodo-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.82144 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.828716 134.8
[M+Na]+ 361.810658 144.2
[M-H]- 337.814164 135.6
[M+NH4]+ 356.855263 154.6
[M+K]+ 377.784598 138.6
[M+H-H2O]+ 321.818700 132.7
[M+HCOO]- 383.819641 149.2
[M+CH3COO]- 397.835291 148.0
[M+Na-2H]- 359.796106 131.6
[M]+ 338.82089142 153.8
[M]- 338.82198858 153.8
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.