CID 523042

5-chloro-1-pentene

Structural Information

Molecular Formula
C5H9Cl
SMILES
C=CCCCCl
InChI
InChI=1S/C5H9Cl/c1-2-3-4-5-6/h2H,1,3-5H2
InChIKey
UPOBJNRMUDPATE-UHFFFAOYSA-N
Compound name
5-chloropent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

664
Patents

104.039276 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04655 118.0
[M+Na]+ 127.02849 126.7
[M-H]- 103.03200 118.4
[M+NH4]+ 122.07310 142.1
[M+K]+ 143.00243 124.1
[M+H-H2O]+ 87.036536 115.1
[M+HCOO]- 149.03748 137.8
[M+CH3COO]- 163.05313 167.4
[M+Na-2H]- 125.01394 125.4
[M]+ 104.03873 119.9
[M]- 104.03982 119.9
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