CID 22056411

89322-56-5

Structural Information

Molecular Formula
C5H6BrNS
SMILES
CCC1=CSC(=N1)Br
InChI
InChI=1S/C5H6BrNS/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3
InChIKey
YQWKKYUKBQHMJG-UHFFFAOYSA-N
Compound name
2-bromo-4-ethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

190.94043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94771 123.2
[M+Na]+ 213.92965 137.8
[M-H]- 189.93315 129.5
[M+NH4]+ 208.97425 148.2
[M+K]+ 229.90359 127.2
[M+H-H2O]+ 173.93769 124.3
[M+HCOO]- 235.93863 141.6
[M+CH3COO]- 249.95428 178.1
[M+Na-2H]- 211.91510 129.0
[M]+ 190.93988 144.3
[M]- 190.94098 144.3
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