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]+ 339.82872 134.8
[M+Na]+ 361.81066 144.2
[M-H]- 337.81416 135.6
[M+NH4]+ 356.85526 154.6
[M+K]+ 377.78460 138.6
[M+H-H2O]+ 321.81870 132.7
[M+HCOO]- 383.81964 149.2
[M+CH3COO]- 397.83529 148.0
[M+Na-2H]- 359.79611 131.6
[M]+ 338.82089 153.8
[M]- 338.82199 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.