CID 3084500

1-undecyne, 11-chloro-

Structural Information

Molecular Formula

C₁₁H₁₉Cl

SMILES

C#CCCCCCCCCCCl

InChI

InChI=1S/C11H19Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h1H,3-11H2

InChIKey

BPQCLPCMIRFKOJ-UHFFFAOYSA-N

Compound name

11-chloroundec-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 186.11752 Da
Monoisotopic Mass: 4.8
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]+	187.12480	138.8
[M+Na]+	209.10674	147.8
[M-H]-	185.11024	138.0
[M+NH4]+	204.15134	157.7
[M+K]+	225.08068	142.9
[M+H-H2O]+	169.11478	129.0
[M+HCOO]-	231.11572	151.9
[M+CH3COO]-	245.13137	192.6
[M+Na-2H]-	207.09219	143.0
[M]+	186.11697	137.7
[M]-	186.11807	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe