CID 6611235

Tetraphenyl 1,4-phenylene bis(phosphate)

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

788
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

No literature data available for this compound.

Patent stripe

patents stripe