CID 9874825

5945-33-5

Structural Information

Molecular Formula
C39H34O8P2
SMILES
CC(C)(C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6
InChI
InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3
InChIKey
BQPNUOYXSVUVMY-UHFFFAOYSA-N
Compound name
[4-[2-(4-diphenoxyphosphoryloxyphenyl)propan-2-yl]phenyl] diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

9948
Patents

692.1729 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.18018 262.3
[M+Na]+ 715.16212 277.2
[M+NH4]+ 710.20672 266.0
[M+K]+ 731.13606 269.0
[M-H]- 691.16562 271.8
[M+Na-2H]- 713.14757 276.6
[M]+ 692.17235 267.4
[M]- 692.17345 267.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe