CID 169254

Benzenesulfonic acid, decyl-

Structural Information

Molecular Formula

C₁₆H₂₆O₃S

SMILES

CCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C16H26O3S/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)20(17,18)19/h10-11,13-14H,2-9,12H2,1H3,(H,17,18,19)

InChIKey

UAZLASMTBCLJKO-UHFFFAOYSA-N

Compound name

2-decylbenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 5249
Patents: 298.16028 Da
Monoisotopic Mass: 5.8
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]+	299.16756	172.3
[M+Na]+	321.14950	182.4
[M+NH4]+	316.19410	178.8
[M+K]+	337.12344	173.7
[M-H]-	297.15300	172.5
[M+Na-2H]-	319.13495	175.9
[M]+	298.15973	174.2
[M]-	298.16083	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe