CID 14382042

2-chlorohexadecanol

Structural Information

Molecular Formula

C₁₆H₃₃ClO

SMILES

CCCCCCCCCCCCCCC(CO)Cl

InChI

InChI=1S/C16H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h16,18H,2-15H2,1H3

InChIKey

BIKPLELGZLSTBN-UHFFFAOYSA-N

Compound name

2-chlorohexadecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 276.222 Da
Monoisotopic Mass: 7.4
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]+	277.22928	174.2
[M+Na]+	299.21122	177.5
[M-H]-	275.21472	171.2
[M+NH4]+	294.25582	190.8
[M+K]+	315.18516	172.4
[M+H-H2O]+	259.21926	169.1
[M+HCOO]-	321.22020	188.0
[M+CH3COO]-	335.23585	201.2
[M+Na-2H]-	297.19667	173.7
[M]+	276.22145	180.0
[M]-	276.22255	180.0

Literature stripe

literature stripe

Patent stripe

patents stripe