CID 73555275

Dtxsid80864182

Structural Information

Molecular Formula
C42H71O10P
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOP(=O)(O)OCCOCCOCCOC2=CC=C(C=C2)CCCCCCCCC
InChI
InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-39-19-23-41(24-20-39)49-35-31-45-27-29-47-33-37-51-53(43,44)52-38-34-48-30-28-46-32-36-50-42-25-21-40(22-26-42)18-16-14-12-10-8-6-4-2/h19-26H,3-18,27-38H2,1-2H3,(H,43,44)
InChIKey
ASLWUQXEVGAJCV-UHFFFAOYSA-N
Compound name
bis[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

766.4785 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 767.48578 281.5
[M+Na]+ 789.46772 279.6
[M+NH4]+ 784.51232 282.1
[M+K]+ 805.44166 280.4
[M-H]- 765.47122 264.9
[M+Na-2H]- 787.45317 278.1
[M]+ 766.47795 277.3
[M]- 766.47905 277.3
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.