CID 99770987

861909-39-9

Structural Information

Molecular Formula
C48H53O4P
SMILES
CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3C4=C2OP(=O)(OC5=C4C6=CC=CC=C6C=C5C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C48H53O4P/c1-45(2,3)33-21-31(22-34(27-33)46(4,5)6)39-25-29-17-13-15-19-37(29)41-42-38-20-16-14-18-30(38)26-40(44(42)52-53(49,50)51-43(39)41)32-23-35(47(7,8)9)28-36(24-32)48(10,11)12/h13-28H,1-12H3,(H,49,50)
InChIKey
GEIVXBCFEGGBDI-UHFFFAOYSA-N
Compound name
10,16-bis(3,5-ditert-butylphenyl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

724.36816 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 725.37544 295.8
[M+Na]+ 747.35738 310.5
[M+NH4]+ 742.40198 301.8
[M+K]+ 763.33132 299.8
[M-H]- 723.36088 304.3
[M+Na-2H]- 745.34283 300.1
[M]+ 724.36761 301.4
[M]- 724.36871 301.4
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.