CID 64991039

2-(1-bromo-ethyl)-thiazole

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

0
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 124.2
[M+Na]+ 213.92965 126.6
[M+NH4]+ 208.97425 130.2
[M+K]+ 229.90359 127.0
[M-H]- 189.93315 124.5
[M+Na-2H]- 211.91510 127.5
[M]+ 190.93988 123.8
[M]- 190.94098 123.8
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

No patent data available for this compound.