CID 117109

6-pentadecyne, 1-chloro-

Structural Information

Molecular Formula

C₁₅H₂₇Cl

SMILES

CCCCCCCCC#CCCCCCCl

InChI

InChI=1S/C15H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-8,11-15H2,1H3

InChIKey

UKMXIURKOMAHIZ-UHFFFAOYSA-N

Compound name

1-chloropentadec-6-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.18013 Da
Monoisotopic Mass: 6.8
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]+	243.18741	155.2
[M+Na]+	265.16935	162.9
[M-H]-	241.17285	153.8
[M+NH4]+	260.21395	172.3
[M+K]+	281.14329	156.9
[M+H-H2O]+	225.17739	144.7
[M+HCOO]-	287.17833	167.1
[M+CH3COO]-	301.19398	202.1
[M+Na-2H]-	263.15480	157.5
[M]+	242.17958	155.4
[M]-	242.18068	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.