CID 4261415

4376-72-1

Structural Information

Molecular Formula
C36H24Br6N3O6P3
SMILES
C1=CC(=CC=C1OP2(=NP(=NP(=N2)(OC3=CC=C(C=C3)Br)OC4=CC=C(C=C4)Br)(OC5=CC=C(C=C5)Br)OC6=CC=C(C=C6)Br)OC7=CC=C(C=C7)Br)Br
InChI
InChI=1S/C36H24Br6N3O6P3/c37-25-1-13-31(14-2-25)46-52(47-32-15-3-26(38)4-16-32)43-53(48-33-17-5-27(39)6-18-33,49-34-19-7-28(40)8-20-34)45-54(44-52,50-35-21-9-29(41)10-22-35)51-36-23-11-30(42)12-24-36/h1-24H
InChIKey
LZDZRKDTUHPPOI-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexakis(4-bromophenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

1160.5978 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1161.6051 174.8
[M+Na]+ 1183.5870 174.0
[M+NH4]+ 1178.6316 175.0
[M+K]+ 1199.5610 174.7
[M-H]- 1159.5905 175.2
[M+Na-2H]- 1181.5725 174.7
[M]+ 1160.5973 175.0
[M]- 1160.5983 175.0
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