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]+ 147.99823 125.4
[M+Na]+ 169.98017 135.7
[M-H]- 145.98367 128.3
[M+NH4]+ 165.02477 148.8
[M+K]+ 185.95411 132.5
[M+H-H2O]+ 129.98821 120.5
[M+HCOO]- 191.98915 140.8
[M+CH3COO]- 206.00480 170.1
[M+Na-2H]- 167.96562 129.0
[M]+ 146.99040 129.0
[M]- 146.99150 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