CID 14253

15015-81-3

Structural Information

Molecular Formula

C₁₆H₃₄O₃S

SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)

InChIKey

SSILHZFTFWOUJR-UHFFFAOYSA-N

Compound name

hexadecane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 7299
Patents: 306.22287 Da
Monoisotopic Mass: 6.9
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]+	307.23015	178.7
[M+Na]+	329.21209	185.3
[M+NH4]+	324.25669	183.8
[M+K]+	345.18603	176.9
[M-H]-	305.21559	175.8
[M+Na-2H]-	327.19754	178.0
[M]+	306.22232	179.0
[M]-	306.22342	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe