CID 137925

1-chloro-4-nonyne

Structural Information

Molecular Formula
C9H15Cl
SMILES
CCCCC#CCCCCl
InChI
InChI=1S/C9H15Cl/c1-2-3-4-5-6-7-8-9-10/h2-4,7-9H2,1H3
InChIKey
RHZYERSKMQJUCP-UHFFFAOYSA-N
Compound name
1-chloronon-4-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

158.08623 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09351 131.5
[M+Na]+ 181.07545 141.3
[M-H]- 157.07895 131.1
[M+NH4]+ 176.12005 151.6
[M+K]+ 197.04939 137.0
[M+H-H2O]+ 141.08349 122.1
[M+HCOO]- 203.08443 145.1
[M+CH3COO]- 217.10008 186.0
[M+Na-2H]- 179.06090 136.6
[M]+ 158.08568 129.6
[M]- 158.08678 129.6
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