CID 117108

3,5-pentadecadiyne, 15-chloro-

Structural Information

Molecular Formula
C15H23Cl
SMILES
CCC#CC#CCCCCCCCCCCl
InChI
InChI=1S/C15H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2,7-15H2,1H3
InChIKey
QLSTWVRRDLEVRU-UHFFFAOYSA-N
Compound name
15-chloropentadeca-3,5-diyne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14883 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15611 156.0
[M+Na]+ 261.13805 165.3
[M-H]- 237.14155 156.6
[M+NH4]+ 256.18265 168.9
[M+K]+ 277.11199 159.2
[M+H-H2O]+ 221.14609 143.3
[M+HCOO]- 283.14703 162.2
[M+CH3COO]- 297.16268 215.8
[M+Na-2H]- 259.12350 156.9
[M]+ 238.14828 151.4
[M]- 238.14938 151.4
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

No patent data available for this compound.