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

literature stripe

Patent stripe

patents stripe