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]+ 191.947706 124.8
[M+Na]+ 213.929648 138.1
[M-H]- 189.933154 130.8
[M+NH4]+ 208.974253 149.4
[M+K]+ 229.903588 128.0
[M+H-H2O]+ 173.937690 125.6
[M+HCOO]- 235.938631 142.1
[M+CH3COO]- 249.954281 177.8
[M+Na-2H]- 211.915096 130.0
[M]+ 190.93988142 144.9
[M]- 190.94097858 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