CID 84703563

4,5-dibromo-1,2-thiazole

Structural Information

Molecular Formula
C3HBr2NS
SMILES
C1=NSC(=C1Br)Br
InChI
InChI=1S/C3HBr2NS/c4-2-1-6-7-3(2)5/h1H
InChIKey
AGRYIAWHVLPQAV-UHFFFAOYSA-N
Compound name
4,5-dibromo-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.81966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.826936 114.3
[M+Na]+ 263.808878 128.9
[M-H]- 239.812384 121.6
[M+NH4]+ 258.853483 137.1
[M+K]+ 279.782818 113.9
[M+H-H2O]+ 223.816920 123.8
[M+HCOO]- 285.817861 128.9
[M+CH3COO]- 299.833511 192.3
[M+Na-2H]- 261.794326 122.0
[M]+ 240.81911142 149.9
[M]- 240.82020858 149.9
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

patents stripe