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

2
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 125.4
[M+Na]+ 213.92965 128.1
[M+NH4]+ 208.97425 131.5
[M+K]+ 229.90359 127.8
[M-H]- 189.93315 125.9
[M+Na-2H]- 211.91510 128.9
[M]+ 190.93988 125.1
[M]- 190.94098 125.1
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