CID 19645

3806-34-6

Structural Information

Molecular Formula
C41H82O6P2
SMILES
CCCCCCCCCCCCCCCCCCOP1OCC2(CO1)COP(OC2)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C41H82O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-48-44-37-41(38-45-48)39-46-49(47-40-41)43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
InChIKey
PZRWFKGUFWPFID-UHFFFAOYSA-N
Compound name
3,9-dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

26727
Patents

732.55865 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.56593 283.3
[M+Na]+ 755.54787 292.6
[M-H]- 731.55137 269.0
[M+NH4]+ 750.59247 287.9
[M+K]+ 771.52181 288.8
[M+H-H2O]+ 715.55591 299.7
[M+HCOO]- 777.55685 316.5
[M+CH3COO]- 791.57250 288.9
[M+Na-2H]- 753.53332 262.5
[M]+ 732.55810 283.3
[M]- 732.55920 283.3
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

patents stripe