CID 44148568

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

Structural Information

Molecular Formula
C24H42O3S
SMILES
CCCCCCCCCC1=CC(=C(C=C1)S(=O)(=O)O)CCCCCCCCC
InChI
InChI=1S/C24H42O3S/c1-3-5-7-9-11-13-15-17-22-19-20-24(28(25,26)27)23(21-22)18-16-14-12-10-8-6-4-2/h19-21H,3-18H2,1-2H3,(H,25,26,27)
InChIKey
QWHXJLGLQYZYCJ-UHFFFAOYSA-N
Compound name
2,4-di(nonyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

410.28546 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.29274 206.6
[M+Na]+ 433.27468 215.3
[M+NH4]+ 428.31928 211.7
[M+K]+ 449.24862 205.0
[M-H]- 409.27818 206.4
[M+Na-2H]- 431.26013 208.1
[M]+ 410.28491 208.2
[M]- 410.28601 208.2
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

patents stripe