CID 3015434

Octadecylbenzenesulphonic acid

Structural Information

Molecular Formula
C24H42O3S
SMILES
CCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
InChI
InChI=1S/C24H42O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27/h18-19,21-22H,2-17,20H2,1H3,(H,25,26,27)
InChIKey
AQQPJNOXVZFTGE-UHFFFAOYSA-N
Compound name
2-octadecylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1411
Patents

410.28546 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.29274 206.5
[M+Na]+ 433.27468 214.8
[M+NH4]+ 428.31928 211.6
[M+K]+ 449.24862 204.3
[M-H]- 409.27818 206.3
[M+Na-2H]- 431.26013 208.2
[M]+ 410.28491 208.0
[M]- 410.28601 208.0
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