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

233
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

literature stripe

Patent stripe

patents stripe