CID 88479

20297-05-6

Structural Information

Molecular Formula
C40H83O12P
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCCCCCCCCCCC
InChI
InChI=1S/C40H83O12P/c1-3-5-7-9-11-13-15-17-19-21-23-43-25-27-45-29-31-47-33-35-49-37-39-51-53(41,42)52-40-38-50-36-34-48-32-30-46-28-26-44-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,41,42)
InChIKey
NRPWCKZJQUDHFY-UHFFFAOYSA-N
Compound name
bis[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

786.5622 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.56948 296.0
[M+Na]+ 809.55142 293.7
[M+NH4]+ 804.59602 300.2
[M+K]+ 825.52536 296.5
[M-H]- 785.55492 279.4
[M+Na-2H]- 807.53687 292.0
[M]+ 786.56165 292.4
[M]- 786.56275 292.4
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.