CID 12795776

Schembl11351639

Structural Information

Molecular Formula
C9H17Cl
SMILES
CC/C=C\CCCCCCl
InChI
InChI=1S/C9H17Cl/c1-2-3-4-5-6-7-8-9-10/h3-4H,2,5-9H2,1H3/b4-3-
InChIKey
LRFDOCWGVIBGCZ-ARJAWSKDSA-N
Compound name
(Z)-9-chloronon-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

160.10188 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.109156 136.9
[M+Na]+ 183.091098 144.1
[M-H]- 159.094604 136.6
[M+NH4]+ 178.135703 159.0
[M+K]+ 199.065038 140.4
[M+H-H2O]+ 143.099140 133.2
[M+HCOO]- 205.100081 155.4
[M+CH3COO]- 219.115731 178.8
[M+Na-2H]- 181.076546 142.1
[M]+ 160.10133142 140.3
[M]- 160.10242858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe