CID 105318

66172-85-8

Structural Information

Molecular Formula
C42H78O10
SMILES
CCCCCCCCCC1=C(C(=CC=C1)CCCCCCCCC)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C42H78O10/c1-3-5-7-9-11-13-15-18-40-20-17-21-41(19-16-14-12-10-8-6-4-2)42(40)52-39-38-51-37-36-50-35-34-49-33-32-48-31-30-47-29-28-46-27-26-45-25-24-44-23-22-43/h17,20-21,43H,3-16,18-19,22-39H2,1-2H3
InChIKey
VXUHQWHMASWIEG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2,6-di(nonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

742.5595 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 743.56678 278.9
[M+Na]+ 765.54872 279.3
[M-H]- 741.55222 261.7
[M+NH4]+ 760.59332 280.0
[M+K]+ 781.52266 279.0
[M+H-H2O]+ 725.55676 278.9
[M+HCOO]- 787.55770 289.9
[M+CH3COO]- 801.57335 284.2
[M+Na-2H]- 763.53417 257.5
[M]+ 742.55895 279.7
[M]- 742.56005 279.7
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.