CID 117103

5-tridecyne, 13-chloro-

Structural Information

Molecular Formula

C₁₃H₂₃Cl

SMILES

CCCCC#CCCCCCCCCl

InChI

InChI=1S/C13H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-4,7-13H2,1H3

InChIKey

YJBTVMLIYQJVFQ-UHFFFAOYSA-N

Compound name

13-chlorotridec-5-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.15611	146.9
[M+Na]+	237.13805	157.9
[M+NH4]+	232.18265	151.8
[M+K]+	253.11199	146.5
[M-H]-	213.14155	139.6
[M+Na-2H]-	235.12350	148.2
[M]+	214.14828	145.8
[M]-	214.14938	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.