CID 12333153

57314-13-3

Structural Information

Molecular Formula
C3Br3NS
SMILES
C1(=C(SC(=N1)Br)Br)Br
InChI
InChI=1S/C3Br3NS/c4-1-2(5)8-3(6)7-1
InChIKey
HIHZUHHBVUBFIS-UHFFFAOYSA-N
Compound name
2,4,5-tribromo-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

318.73016 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.73744 116.9
[M+Na]+ 341.71938 128.5
[M-H]- 317.72288 123.3
[M+NH4]+ 336.76398 134.4
[M+K]+ 357.69332 113.3
[M+H-H2O]+ 301.72742 133.2
[M+HCOO]- 363.72836 126.5
[M+CH3COO]- 377.74401 214.3
[M+Na-2H]- 339.70483 123.5
[M]+ 318.72961 159.3
[M]- 318.73071 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe