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

0
Patents

240.81966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.82694 114.3
[M+Na]+ 263.80888 128.9
[M-H]- 239.81238 121.6
[M+NH4]+ 258.85348 137.1
[M+K]+ 279.78282 113.9
[M+H-H2O]+ 223.81692 123.8
[M+HCOO]- 285.81786 128.9
[M+CH3COO]- 299.83351 192.3
[M+Na-2H]- 261.79433 122.0
[M]+ 240.81911 149.9
[M]- 240.82021 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