CID 122163608

2-chloro-5-ethynyl-1,3-thiazole

Structural Information

Molecular Formula
C5H2ClNS
SMILES
C#CC1=CN=C(S1)Cl
InChI
InChI=1S/C5H2ClNS/c1-2-4-3-7-5(6)8-4/h1,3H
InChIKey
UDHNOGKCBNQGEM-UHFFFAOYSA-N
Compound name
2-chloro-5-ethynyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.95964 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.966916 127.3
[M+Na]+ 165.948858 141.1
[M-H]- 141.952364 129.6
[M+NH4]+ 160.993463 148.7
[M+K]+ 181.922798 136.6
[M+H-H2O]+ 125.956900 116.7
[M+HCOO]- 187.957841 137.7
[M+CH3COO]- 201.973491 140.6
[M+Na-2H]- 163.934306 129.6
[M]+ 142.95909142 125.1
[M]- 142.96018858 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

No patent data available for this compound.