CID 165765548

4-bromo-5-iodo-3-methyl-1,2-thiazole

Structural Information

Molecular Formula
C4H3BrINS
SMILES
CC1=NSC(=C1Br)I
InChI
InChI=1S/C4H3BrINS/c1-2-3(5)4(6)8-7-2/h1H3
InChIKey
OKSJFXILMBDZIO-UHFFFAOYSA-N
Compound name
4-bromo-5-iodo-3-methyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.82144 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.82872 129.4
[M+Na]+ 325.81066 137.8
[M-H]- 301.81416 129.3
[M+NH4]+ 320.85526 149.4
[M+K]+ 341.78460 133.0
[M+H-H2O]+ 285.81870 127.0
[M+HCOO]- 347.81964 143.2
[M+CH3COO]- 361.83529 187.3
[M+Na-2H]- 323.79611 123.5
[M]+ 302.82089 146.9
[M]- 302.82199 146.9
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.