CID 130856153

5-(3-chloroprop-1-yn-1-yl)-1,2-thiazole

Structural Information

Molecular Formula
C6H4ClNS
SMILES
C1=C(SN=C1)C#CCCl
InChI
InChI=1S/C6H4ClNS/c7-4-1-2-6-3-5-8-9-6/h3,5H,4H2
InChIKey
PZQSSYKQPIBEER-UHFFFAOYSA-N
Compound name
5-(3-chloroprop-1-ynyl)-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.9753 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.98258 132.4
[M+Na]+ 179.96452 145.2
[M-H]- 155.96802 134.3
[M+NH4]+ 175.00912 153.1
[M+K]+ 195.93846 140.4
[M+H-H2O]+ 139.97256 121.3
[M+HCOO]- 201.97350 142.5
[M+CH3COO]- 215.98915 145.0
[M+Na-2H]- 177.94997 134.7
[M]+ 156.97475 130.0
[M]- 156.97585 130.0
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

No patent data available for this compound.