CID 12705708

(z)-3-chloro-2-pentene

Structural Information

Molecular Formula
C5H9Cl
SMILES
CC/C(=C/C)/Cl
InChI
InChI=1S/C5H9Cl/c1-3-5(6)4-2/h3H,4H2,1-2H3/b5-3-
InChIKey
VSQKJRIDGSFPSI-HYXAFXHYSA-N
Compound name
(Z)-3-chloropent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

104.039276 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04655 118.3
[M+Na]+ 127.02849 126.8
[M-H]- 103.03200 118.8
[M+NH4]+ 122.07310 142.5
[M+K]+ 143.00243 124.7
[M+H-H2O]+ 87.036536 115.5
[M+HCOO]- 149.03748 137.1
[M+CH3COO]- 163.05313 167.5
[M+Na-2H]- 125.01394 124.4
[M]+ 104.03873 119.5
[M]- 104.03982 119.5
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