CID 117102

3-tridecyne, 13-chloro-

Structural Information

Molecular Formula
C13H23Cl
SMILES
CCC#CCCCCCCCCCCl
InChI
InChI=1S/C13H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,5-13H2,1H3
InChIKey
FASCGHUOLAVYNQ-UHFFFAOYSA-N
Compound name
13-chlorotridec-3-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.14883 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15611 147.4
[M+Na]+ 237.13805 155.8
[M-H]- 213.14155 146.3
[M+NH4]+ 232.18265 165.5
[M+K]+ 253.11199 150.3
[M+H-H2O]+ 197.14609 137.2
[M+HCOO]- 259.14703 159.9
[M+CH3COO]- 273.16268 196.7
[M+Na-2H]- 235.12350 150.6
[M]+ 214.14828 146.8
[M]- 214.14938 146.8
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.