CID 87561

10-chloro-3-decyne

Structural Information

Molecular Formula

C₁₀H₁₇Cl

SMILES

CCC#CCCCCCCCl

InChI

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

InChIKey

BQQIODGRFRSXTM-UHFFFAOYSA-N

Compound name

10-chlorodec-3-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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]+	173.109156	135.5
[M+Na]+	195.091098	145.0
[M-H]-	171.094604	134.9
[M+NH4]+	190.135703	155.1
[M+K]+	211.065038	140.3
[M+H-H2O]+	155.099140	125.9
[M+HCOO]-	217.100081	148.8
[M+CH3COO]-	231.115731	188.7
[M+Na-2H]-	193.076546	140.1
[M]+	172.10133142	133.9
[M]-	172.10242858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe