CID 3024120

Lead bis(tetracosylbenzenesulphonate)

Structural Information

Molecular Formula
C30H54O3S
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
InChI
InChI=1S/C30H54O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33/h24-25,27-28H,2-23,26H2,1H3,(H,31,32,33)
InChIKey
LATJIGOAKQVDMK-UHFFFAOYSA-N
Compound name
2-tetracosylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

494.37936 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.38664 230.6
[M+Na]+ 517.36858 229.9
[M-H]- 493.37208 229.0
[M+NH4]+ 512.41318 237.6
[M+K]+ 533.34252 221.8
[M+H-H2O]+ 477.37662 221.2
[M+HCOO]- 539.37756 240.8
[M+CH3COO]- 553.39321 240.6
[M+Na-2H]- 515.35403 225.0
[M]+ 494.37881 241.0
[M]- 494.37991 241.0
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

patents stripe