CID 93311

57583-54-7

Structural Information

Molecular Formula
C30H24O8P2
SMILES
C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC(=CC=C3)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5
InChI
InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H
InChIKey
OWICEWMBIBPFAH-UHFFFAOYSA-N
Compound name
(3-diphenoxyphosphoryloxyphenyl) diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

11746
Patents

574.09467 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.10195 231.4
[M+Na]+ 597.08389 231.7
[M-H]- 573.08739 242.3
[M+NH4]+ 592.12849 232.0
[M+K]+ 613.05783 230.8
[M+H-H2O]+ 557.09193 211.8
[M+HCOO]- 619.09287 259.6
[M+CH3COO]- 633.10852 248.1
[M+Na-2H]- 595.06934 232.4
[M]+ 574.09412 234.6
[M]- 574.09522 234.6
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