CID 20550155

3-(2-chloroethyl)-1,2-thiazole

Structural Information

Molecular Formula
C5H6ClNS
SMILES
C1=CSN=C1CCCl
InChI
InChI=1S/C5H6ClNS/c6-3-1-5-2-4-8-7-5/h2,4H,1,3H2
InChIKey
ORIDNYHFCZXSAC-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

146.99095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.998226 125.4
[M+Na]+ 169.980168 135.7
[M-H]- 145.983674 128.3
[M+NH4]+ 165.024773 148.8
[M+K]+ 185.954108 132.5
[M+H-H2O]+ 129.988210 120.5
[M+HCOO]- 191.989151 140.8
[M+CH3COO]- 206.004801 170.1
[M+Na-2H]- 167.965616 129.0
[M]+ 146.99040142 129.0
[M]- 146.99149858 129.0
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