CID 174063

Potassium hexadecylbenzenesulfonate

Structural Information

Molecular Formula

C₂₂H₃₈O₃S

SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C22H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22(21)26(23,24)25/h16-17,19-20H,2-15,18H2,1H3,(H,23,24,25)

InChIKey

CTIFKKWVNGEOBU-UHFFFAOYSA-N

Compound name

2-hexadecylbenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3345
Patents: 382.25418 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]+	383.26146	198.0
[M+Na]+	405.24340	206.8
[M+NH4]+	400.28800	203.4
[M+K]+	421.21734	196.7
[M-H]-	381.24690	197.9
[M+Na-2H]-	403.22885	200.1
[M]+	382.25363	199.6
[M]-	382.25473	199.6

Literature stripe

literature stripe

Patent stripe

patents stripe