CID 84308

5-chloro-1-pentyne

Structural Information

Molecular Formula
C5H7Cl
SMILES
C#CCCCCl
InChI
InChI=1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2
InChIKey
UXFIKVWAAMKFQE-UHFFFAOYSA-N
Compound name
5-chloropent-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1969
Patents

102.02363 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03091 114.8
[M+Na]+ 125.01285 125.9
[M-H]- 101.01635 114.9
[M+NH4]+ 120.05745 136.7
[M+K]+ 140.98679 122.6
[M+H-H2O]+ 85.020890 106.1
[M+HCOO]- 147.02183 129.5
[M+CH3COO]- 161.03748 176.4
[M+Na-2H]- 122.99830 121.9
[M]+ 102.02308 111.6
[M]- 102.02418 111.6
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.