CID 112756237

5-(2-bromoethyl)-1,3-thiazole

Structural Information

Molecular Formula
C5H6BrNS
SMILES
C1=C(SC=N1)CCBr
InChI
InChI=1S/C5H6BrNS/c6-2-1-5-3-7-4-8-5/h3-4H,1-2H2
InChIKey
RPRWIWZJKAEHON-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

190.94043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94771 123.8
[M+Na]+ 213.92965 137.5
[M-H]- 189.93315 129.7
[M+NH4]+ 208.97425 148.5
[M+K]+ 229.90359 127.0
[M+H-H2O]+ 173.93769 124.7
[M+HCOO]- 235.93863 142.2
[M+CH3COO]- 249.95428 177.1
[M+Na-2H]- 211.91510 130.1
[M]+ 190.93988 144.5
[M]- 190.94098 144.5
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