CID 136774

Octaphenoxycyclotetraphosphazene

Structural Information

Molecular Formula
C48H40N4O8P4
SMILES
C1=CC=C(C=C1)OP2(=NP(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)(OC7=CC=CC=C7)OC8=CC=CC=C8)OC9=CC=CC=C9
InChI
InChI=1S/C48H40N4O8P4/c1-9-25-41(26-10-1)53-61(54-42-27-11-2-12-28-42)49-62(55-43-29-13-3-14-30-43,56-44-31-15-4-16-32-44)51-64(59-47-37-21-7-22-38-47,60-48-39-23-8-24-40-48)52-63(50-61,57-45-33-17-5-18-34-45)58-46-35-19-6-20-36-46/h1-40H
InChIKey
MPAHZJBGSWHKBJ-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8-octaphenoxy-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

610
Patents

924.1797 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 925.18698 211.0
[M+Na]+ 947.16892 209.6
[M-H]- 923.17242 215.4
[M+NH4]+ 942.21352 205.2
[M+K]+ 963.14286 210.6
[M+H-H2O]+ 907.17696 194.0
[M+HCOO]- 969.17790 220.9
[M+CH3COO]- 983.19355 208.3
[M+Na-2H]- 945.15437 205.9
[M]+ 924.17915 207.8
[M]- 924.18025 207.8
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