CID 473268

Nonylphenol-19-ethoxylate

Structural Information

Molecular Formula
C53H100O20
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C53H100O20/c1-2-3-4-5-6-7-8-9-52-10-12-53(13-11-52)73-51-50-72-49-48-71-47-46-70-45-44-69-43-42-68-41-40-67-39-38-66-37-36-65-35-34-64-33-32-63-31-30-62-29-28-61-27-26-60-25-24-59-23-22-58-21-20-57-19-18-56-17-16-55-15-14-54/h10-13,54H,2-9,14-51H2,1H3
InChIKey
IFTNLPDUPBHEEO-UHFFFAOYSA-N
Compound name
2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

1056.6808 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1057.6881 355.8
[M+Na]+ 1079.6700 349.2
[M-H]- 1055.6735 340.5
[M+NH4]+ 1074.7146 363.9
[M+K]+ 1095.6440 351.8
[M+H-H2O]+ 1039.6781 355.8
[M+HCOO]- 1101.6790 360.4
[M+CH3COO]- 1115.6947 321.0
[M+Na-2H]- 1077.6555 326.0
[M]+ 1056.6803 365.9
[M]- 1056.6813 365.9
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

No patent data available for this compound.