CID 3021823

3-chloronon-1-ene

Structural Information

Molecular Formula
C9H17Cl
SMILES
CCCCCCC(C=C)Cl
InChI
InChI=1S/C9H17Cl/c1-3-5-6-7-8-9(10)4-2/h4,9H,2-3,5-8H2,1H3
InChIKey
WQEMCADLIQDYOT-UHFFFAOYSA-N
Compound name
3-chloronon-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

160.10188 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.109156 137.0
[M+Na]+ 183.091098 143.8
[M-H]- 159.094604 136.7
[M+NH4]+ 178.135703 158.9
[M+K]+ 199.065038 140.5
[M+H-H2O]+ 143.099140 133.3
[M+HCOO]- 205.100081 154.5
[M+CH3COO]- 219.115731 180.3
[M+Na-2H]- 181.076546 140.9
[M]+ 160.10133142 139.8
[M]- 160.10242858 139.8
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