CID 118799064

1233407-28-7

Structural Information

Molecular Formula
C42H29N2P
SMILES
C1=CC=C(C=C1)P(C2=CC=C(C=C2)N3C4=CC=CC=C4C5=CC=CC=C53)C6=CC=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97
InChI
InChI=1S/C42H29N2P/c1-2-12-32(13-3-1)45(33-26-22-30(23-27-33)43-39-18-8-4-14-35(39)36-15-5-9-19-40(36)43)34-28-24-31(25-29-34)44-41-20-10-6-16-37(41)38-17-7-11-21-42(38)44/h1-29H
InChIKey
BRTJBNHSYGCSQI-UHFFFAOYSA-N
Compound name
bis(4-carbazol-9-ylphenyl)-phenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

592.20685 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.21413 245.2
[M+Na]+ 615.19607 251.6
[M-H]- 591.19957 259.5
[M+NH4]+ 610.24067 250.0
[M+K]+ 631.17001 240.7
[M+H-H2O]+ 575.20411 227.3
[M+HCOO]- 637.20505 264.9
[M+CH3COO]- 651.22070 250.2
[M+Na-2H]- 613.18152 239.4
[M]+ 592.20630 245.1
[M]- 592.20740 245.1
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