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

185
Patents

592.20685 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.214126 245.2
[M+Na]+ 615.196068 251.6
[M-H]- 591.199574 259.5
[M+NH4]+ 610.240673 250.0
[M+K]+ 631.170008 240.7
[M+H-H2O]+ 575.204110 227.3
[M+HCOO]- 637.205051 264.9
[M+CH3COO]- 651.220701 250.2
[M+Na-2H]- 613.181516 239.4
[M]+ 592.20630142 245.1
[M]- 592.20739858 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