CID 96923

1-hexadecanesulfonyl chloride

Structural Information

Molecular Formula

C₁₆H₃₃ClO₂S

SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)Cl

InChI

InChI=1S/C16H33ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3

InChIKey

YOSVFFVBSPQTTP-UHFFFAOYSA-N

Compound name

hexadecane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 471
Patents: 324.18896 Da
Monoisotopic Mass: 8.1
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]+	325.19624	180.0
[M+Na]+	347.17818	184.5
[M-H]-	323.18168	178.9
[M+NH4]+	342.22278	196.0
[M+K]+	363.15212	178.7
[M+H-H2O]+	307.18622	174.7
[M+HCOO]-	369.18716	190.0
[M+CH3COO]-	383.20281	207.3
[M+Na-2H]-	345.16363	178.9
[M]+	324.18841	189.8
[M]-	324.18951	189.8

Literature stripe

literature stripe

Patent stripe

patents stripe