CID 89764

2-pentyne, 1-chloro-

Structural Information

Molecular Formula
C5H7Cl
SMILES
CCC#CCCl
InChI
InChI=1S/C5H7Cl/c1-2-3-4-5-6/h2,5H2,1H3
InChIKey
JBKXDMAPOZZDCE-UHFFFAOYSA-N
Compound name
1-chloropent-2-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

255
Patents

102.02363 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03091 115.4
[M+Na]+ 125.01285 126.7
[M-H]- 101.01635 115.6
[M+NH4]+ 120.05745 137.4
[M+K]+ 140.98679 123.4
[M+H-H2O]+ 85.020890 106.8
[M+HCOO]- 147.02183 130.2
[M+CH3COO]- 161.03748 175.2
[M+Na-2H]- 122.99830 122.5
[M]+ 102.02308 112.1
[M]- 102.02418 112.1
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.