CID 64991039

1353959-24-6

Structural Information

Molecular Formula
C5H6BrNS
SMILES
CC(C1=NC=CS1)Br
InChI
InChI=1S/C5H6BrNS/c1-4(6)5-7-2-3-8-5/h2-4H,1H3
InChIKey
YGEBLAJDJLNGHM-UHFFFAOYSA-N
Compound name
2-(1-bromoethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

190.94043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94771 124.8
[M+Na]+ 213.92965 138.1
[M-H]- 189.93315 130.8
[M+NH4]+ 208.97425 149.4
[M+K]+ 229.90359 128.0
[M+H-H2O]+ 173.93769 125.6
[M+HCOO]- 235.93863 142.1
[M+CH3COO]- 249.95428 177.8
[M+Na-2H]- 211.91510 130.0
[M]+ 190.93988 144.9
[M]- 190.94098 144.9
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