CID 209142

Tribromotriphenyltriphosphonitrile (cis)

Structural Information

Molecular Formula
C18H15Br3N3P3
SMILES
C1=CC=C(C=C1)P2(=NP(=NP(=N2)(C3=CC=CC=C3)Br)(C4=CC=CC=C4)Br)Br
InChI
InChI=1S/C18H15Br3N3P3/c19-25(16-10-4-1-5-11-16)22-26(20,17-12-6-2-7-13-17)24-27(21,23-25)18-14-8-3-9-15-18/h1-15H
InChIKey
QQKQUOVDLJFDED-UHFFFAOYSA-N
Compound name
2,4,6-tribromo-2,4,6-triphenyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.8029 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.81018 210.5
[M+Na]+ 625.79212 216.6
[M-H]- 601.79562 216.8
[M+NH4]+ 620.83672 220.4
[M+K]+ 641.76606 204.0
[M+H-H2O]+ 585.80016 220.7
[M+HCOO]- 647.80110 225.2
[M+CH3COO]- 661.81675 217.0
[M+Na-2H]- 623.77757 208.5
[M]+ 602.80235 249.9
[M]- 602.80345 249.9
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

No patent data available for this compound.