CID 642169

1-chloropent-2-ene

Structural Information

Molecular Formula
C5H9Cl
SMILES
CC/C=C/CCl
InChI
InChI=1S/C5H9Cl/c1-2-3-4-5-6/h3-4H,2,5H2,1H3/b4-3+
InChIKey
UPJCRKZUCADENN-ONEGZZNKSA-N
Compound name
(E)-1-chloropent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

104.039276 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04655 117.5
[M+Na]+ 127.02849 130.2
[M+NH4]+ 122.07310 127.1
[M+K]+ 143.00243 122.6
[M-H]- 103.03200 118.1
[M+Na-2H]- 125.01394 123.2
[M]+ 104.03873 119.7
[M]- 104.03982 119.7
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

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