CID 90944

16659-50-0

Structural Information

Molecular Formula
C24H46O7S
SMILES
CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)O
InChI
InChI=1S/C24H46O7S/c1-3-5-7-9-11-13-15-17-19-30-23(25)21-22(32(27,28)29)24(26)31-20-18-16-14-12-10-8-6-4-2/h22H,3-21H2,1-2H3,(H,27,28,29)
InChIKey
HWJHLQSSWFHRQU-UHFFFAOYSA-N
Compound name
1,4-didecoxy-1,4-dioxobutane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

266
Patents

478.29642 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.30370 226.2
[M+Na]+ 501.28564 230.6
[M+NH4]+ 496.33024 229.7
[M+K]+ 517.25958 225.7
[M-H]- 477.28914 218.0
[M+Na-2H]- 499.27109 229.8
[M]+ 478.29587 224.9
[M]- 478.29697 224.9
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