CID 12708932

9-chloronon-1-yne

Structural Information

Molecular Formula
C9H15Cl
SMILES
C#CCCCCCCCCl
InChI
InChI=1S/C9H15Cl/c1-2-3-4-5-6-7-8-9-10/h1H,3-9H2
InChIKey
HDNFFWNQLYWOIQ-UHFFFAOYSA-N
Compound name
9-chloronon-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

158.08623 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09351 130.9
[M+Na]+ 181.07545 140.6
[M-H]- 157.07895 130.4
[M+NH4]+ 176.12005 150.8
[M+K]+ 197.04939 136.2
[M+H-H2O]+ 141.08349 121.4
[M+HCOO]- 203.08443 144.5
[M+CH3COO]- 217.10008 187.2
[M+Na-2H]- 179.06090 136.0
[M]+ 158.08568 129.1
[M]- 158.08678 129.1
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