CID 162881

Benzenesulfonic acid, hydroxydinonyl-

Structural Information

Molecular Formula
C24H42O4S
SMILES
CCCCCCCCCC1=C(C=CC(=C1CCCCCCCCC)S(=O)(=O)O)O
InChI
InChI=1S/C24H42O4S/c1-3-5-7-9-11-13-15-17-21-22(18-16-14-12-10-8-6-4-2)24(29(26,27)28)20-19-23(21)25/h19-20,25H,3-18H2,1-2H3,(H,26,27,28)
InChIKey
LWJLDOMFDMHIHS-UHFFFAOYSA-N
Compound name
4-hydroxy-2,3-di(nonyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

426.2804 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.28768 207.6
[M+Na]+ 449.26962 210.5
[M-H]- 425.27312 206.5
[M+NH4]+ 444.31422 217.2
[M+K]+ 465.24356 203.7
[M+H-H2O]+ 409.27766 199.9
[M+HCOO]- 471.27860 218.4
[M+CH3COO]- 485.29425 225.2
[M+Na-2H]- 447.25507 203.5
[M]+ 426.27985 216.2
[M]- 426.28095 216.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.