CID 94048

16-chlorohexadeca-5,9-diyne

Structural Information

Molecular Formula
C16H25Cl
SMILES
CCCCC#CCCC#CCCCCCCCl
InChI
InChI=1S/C16H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-4,7-8,11-16H2,1H3
InChIKey
KALOSERCJZNJMW-UHFFFAOYSA-N
Compound name
16-chlorohexadeca-5,9-diyne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.16447 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17175 171.7
[M+Na]+ 275.15369 179.9
[M+NH4]+ 270.19829 172.3
[M+K]+ 291.12763 167.9
[M-H]- 251.15719 160.1
[M+Na-2H]- 273.13914 169.2
[M]+ 252.16392 168.5
[M]- 252.16502 168.5
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.