CID 3019739

84176-61-4

Structural Information

Molecular Formula

C₁₅H₂₄O₄S

SMILES

C1=CC=C(C(=C1)CCCCCCCCCS(=O)(=O)O)O

InChI

InChI=1S/C15H24O4S/c16-15-12-8-7-11-14(15)10-6-4-2-1-3-5-9-13-20(17,18)19/h7-8,11-12,16H,1-6,9-10,13H2,(H,17,18,19)

InChIKey

SJIHHWWUIABEIQ-UHFFFAOYSA-N

Compound name

9-(2-hydroxyphenyl)nonane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 300.13953 Da
Monoisotopic Mass: 4.2
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]+	301.146806	170.2
[M+Na]+	323.128748	175.5
[M-H]-	299.132254	170.3
[M+NH4]+	318.173353	184.5
[M+K]+	339.102688	170.6
[M+H-H2O]+	283.136790	163.8
[M+HCOO]-	345.137731	184.2
[M+CH3COO]-	359.153381	196.0
[M+Na-2H]-	321.114196	171.5
[M]+	300.13898142	174.8
[M]-	300.14007858	174.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe