CID 164499

154862-43-8

Structural Information

Molecular Formula
C53H58O6P2
SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)OP3OCC4(CO3)COP(OC4)OC5=C(C=C(C=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7)C(C)(C)C8=CC=CC=C8
InChI
InChI=1S/C53H58O6P2/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42/h9-34H,35-38H2,1-8H3
InChIKey
WBWXVCMXGYSMQA-UHFFFAOYSA-N
Compound name
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8131
Patents

852.37085 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 853.37813 296.3
[M+Na]+ 875.36007 310.7
[M+NH4]+ 870.40467 301.2
[M+K]+ 891.33401 301.1
[M-H]- 851.36357 313.3
[M+Na-2H]- 873.34552 307.9
[M]+ 852.37030 303.9
[M]- 852.37140 303.9
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

patents stripe