CID 116182

64022-67-9

Structural Information

Molecular Formula
C26H28O7P2
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OP3OCC4(COP(OC4)OC5=CC=CC=C5)CO3
InChI
InChI=1S/C26H28O7P2/c1-25(2,20-8-12-22(27)13-9-20)21-10-14-24(15-11-21)33-35-30-18-26(19-31-35)16-28-34(29-17-26)32-23-6-4-3-5-7-23/h3-15,27H,16-19H2,1-2H3
InChIKey
YKOLGYRMYXEWFJ-UHFFFAOYSA-N
Compound name
4-[2-[4-[(9-phenoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-3-yl)oxy]phenyl]propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.13104 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.13832 220.1
[M+Na]+ 537.12026 232.9
[M+NH4]+ 532.16486 226.8
[M+K]+ 553.09420 226.0
[M-H]- 513.12376 232.2
[M+Na-2H]- 535.10571 227.5
[M]+ 514.13049 225.6
[M]- 514.13159 225.6
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.