CID 20550179

4-(2-chloroethyl)-1,3-thiazole

Structural Information

Molecular Formula
C5H6ClNS
SMILES
C1=C(N=CS1)CCCl
InChI
InChI=1S/C5H6ClNS/c6-2-1-5-3-8-4-7-5/h3-4H,1-2H2
InChIKey
SJKXFYXCQCXHIH-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

146.99095 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe