CID 108582

5-decyne, 1-chloro-

Structural Information

Molecular Formula

C₁₀H₁₇Cl

SMILES

CCCCC#CCCCCCl

InChI

InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-4,7-10H2,1H3

InChIKey

HOROZASJKPUNET-UHFFFAOYSA-N

Compound name

1-chlorodec-5-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 887
Patents: 172.10188 Da
Monoisotopic Mass: 4.1
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]+	173.10916	135.5
[M+Na]+	195.09110	145.0
[M-H]-	171.09460	134.9
[M+NH4]+	190.13570	155.1
[M+K]+	211.06504	140.3
[M+H-H2O]+	155.09914	125.9
[M+HCOO]-	217.10008	148.8
[M+CH3COO]-	231.11573	188.7
[M+Na-2H]-	193.07655	140.1
[M]+	172.10133	133.9
[M]-	172.10243	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe