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]+ 143.96692 127.3
[M+Na]+ 165.94886 141.1
[M-H]- 141.95236 129.6
[M+NH4]+ 160.99346 148.7
[M+K]+ 181.92280 136.6
[M+H-H2O]+ 125.95690 116.7
[M+HCOO]- 187.95784 137.7
[M+CH3COO]- 201.97349 140.6
[M+Na-2H]- 163.93431 129.6
[M]+ 142.95909 125.1
[M]- 142.96019 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.