CID 44151312

Benzenesulfonic acid, 2,4-ditridecyl-, ammonium salt (1:1)

Structural Information

Molecular Formula
C32H58O3S
SMILES
CCCCCCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)O)CCCCCCCCCCCCC
InChI
InChI=1S/C32H58O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-27-28-32(36(33,34)35)31(29-30)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29H,3-26H2,1-2H3,(H,33,34,35)
InChIKey
IXPVUFYYTYUSOY-UHFFFAOYSA-N
Compound name
2,4-di(tridecyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.41064 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.41792 238.3
[M+Na]+ 545.39986 237.6
[M-H]- 521.40336 236.7
[M+NH4]+ 540.44446 244.5
[M+K]+ 561.37380 229.2
[M+H-H2O]+ 505.40790 228.8
[M+HCOO]- 567.40884 247.9
[M+CH3COO]- 581.42449 247.6
[M+Na-2H]- 543.38531 231.3
[M]+ 522.41009 249.8
[M]- 522.41119 249.8
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.