CID 11344097

8-chloro-1-octene

Structural Information

Molecular Formula
C8H15Cl
SMILES
C=CCCCCCCCl
InChI
InChI=1S/C8H15Cl/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
InChIKey
LYNCRGYDKRNBAB-UHFFFAOYSA-N
Compound name
8-chlorooct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

146.08623 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09351 132.1
[M+Na]+ 169.07545 139.5
[M-H]- 145.07895 131.9
[M+NH4]+ 164.12005 154.6
[M+K]+ 185.04939 136.1
[M+H-H2O]+ 129.08349 128.5
[M+HCOO]- 191.08443 150.9
[M+CH3COO]- 205.10008 176.5
[M+Na-2H]- 167.06090 137.8
[M]+ 146.08568 135.1
[M]- 146.08678 135.1
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