CID 136917

Hexaphenoxycyclotriphosphazene

Structural Information

Molecular Formula
C36H30N3O6P3
SMILES
C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7
InChI
InChI=1S/C36H30N3O6P3/c1-7-19-31(20-8-1)40-46(41-32-21-9-2-10-22-32)37-47(42-33-23-11-3-12-24-33,43-34-25-13-4-14-26-34)39-48(38-46,44-35-27-15-5-16-28-35)45-36-29-17-6-18-30-36/h1-30H
InChIKey
RNFJDJUURJAICM-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

89
References

192012
Patents

693.13477 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.14205 254.9
[M+Na]+ 716.12399 273.3
[M+NH4]+ 711.16859 263.0
[M+K]+ 732.09793 257.9
[M-H]- 692.12749 266.8
[M+Na-2H]- 714.10944 274.6
[M]+ 693.13422 261.5
[M]- 693.13532 261.5
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