CID 16733323

2-(3-chloroprop-1-yn-1-yl)thiophene

Structural Information

Molecular Formula
C7H5ClS
SMILES
C1=CSC(=C1)C#CCCl
InChI
InChI=1S/C7H5ClS/c8-5-1-3-7-4-2-6-9-7/h2,4,6H,5H2
InChIKey
VRMZPIZMEHBLQD-UHFFFAOYSA-N
Compound name
2-(3-chloroprop-1-ynyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.98004 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.98732 135.2
[M+Na]+ 178.96926 148.2
[M-H]- 154.97276 138.8
[M+NH4]+ 174.01386 157.4
[M+K]+ 194.94320 142.6
[M+H-H2O]+ 138.97730 125.3
[M+HCOO]- 200.97824 146.5
[M+CH3COO]- 214.99389 179.8
[M+Na-2H]- 176.95471 137.3
[M]+ 155.97949 133.1
[M]- 155.98059 133.1
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.