CID 15593894

Nonylphenol-16-ethoxylate

Structural Information

Molecular Formula
C47H88O17
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C47H88O17/c1-2-3-4-5-6-7-8-9-46-10-12-47(13-11-46)64-45-44-63-43-42-62-41-40-61-39-38-60-37-36-59-35-34-58-33-32-57-31-30-56-29-28-55-27-26-54-25-24-53-23-22-52-21-20-51-19-18-50-17-16-49-15-14-48/h10-13,48H,2-9,14-45H2,1H3
InChIKey
WCERPFOWRLXYQI-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

924.6022 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 925.60948 321.5
[M+Na]+ 947.59142 317.3
[M-H]- 923.59492 306.4
[M+NH4]+ 942.63602 327.4
[M+K]+ 963.56536 317.9
[M+H-H2O]+ 907.59946 321.8
[M+HCOO]- 969.60040 329.2
[M+CH3COO]- 983.61605 304.7
[M+Na-2H]- 945.57687 295.2
[M]+ 924.60165 327.3
[M]- 924.60275 327.3
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.