CID 3255346

4,6-bis(diphenylphosphino)-10h-phenoxazine

Structural Information

Molecular Formula
C36H27NOP2
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(N4)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H
InChIKey
HSWZLYXRAOXOLL-UHFFFAOYSA-N
Compound name
(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

565
Patents

551.1568 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.16408 237.8
[M+Na]+ 574.14602 237.7
[M-H]- 550.14952 246.6
[M+NH4]+ 569.19062 237.8
[M+K]+ 590.11996 230.2
[M+H-H2O]+ 534.15406 216.9
[M+HCOO]- 596.15500 256.8
[M+CH3COO]- 610.17065 240.3
[M+Na-2H]- 572.13147 230.4
[M]+ 551.15625 229.9
[M]- 551.15735 229.9
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