CID 20993

1-chlorohexadecane

Structural Information

Molecular Formula

C₁₆H₃₃Cl

SMILES

CCCCCCCCCCCCCCCCCl

InChI

InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChIKey

CLWAXFZCVYJLLM-UHFFFAOYSA-N

Compound name

1-chlorohexadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 3739
Patents: 260.22708 Da
Monoisotopic Mass: 9.0
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]+	261.23436	170.4
[M+Na]+	283.21630	174.3
[M-H]-	259.21980	168.6
[M+NH4]+	278.26090	188.4
[M+K]+	299.19024	169.2
[M+H-H2O]+	243.22434	165.0
[M+HCOO]-	305.22528	186.3
[M+CH3COO]-	319.24093	201.4
[M+Na-2H]-	281.20175	171.6
[M]+	260.22653	177.2
[M]-	260.22763	177.2

Literature stripe

literature stripe

Patent stripe

patents stripe