CID 164499

2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane, 3,9-bis(2,4-bis(1-methyl-1-phenylethyl)phenoxy)-

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
3
Annotation Hits

0
References

8234
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 302.9
[M+Na]+ 875.36007 297.3
[M-H]- 851.36357 318.6
[M+NH4]+ 870.40467 289.1
[M+K]+ 891.33401 301.8
[M+H-H2O]+ 835.36811 279.0
[M+HCOO]- 897.36905 309.6
[M+CH3COO]- 911.38470 301.5
[M+Na-2H]- 873.34552 295.8
[M]+ 852.37030 296.9
[M]- 852.37140 296.9
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