CID 152326

21050-13-5

Structural Information

Molecular Formula
C36H30NP2
SMILES
C1=CC=C(C=C1)P(=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C36H30NP2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H/q+1
InChIKey
FXCZFAOTGUCDBE-UHFFFAOYSA-N
Compound name
triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1073
Patents

538.18536 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.19264 241.3
[M+Na]+ 561.17458 240.1
[M-H]- 537.17808 254.3
[M+NH4]+ 556.21918 243.1
[M+K]+ 577.14852 226.8
[M+H-H2O]+ 521.18262 223.5
[M+HCOO]- 583.18356 267.8
[M+CH3COO]- 597.19921 244.4
[M+Na-2H]- 559.16003 241.6
[M]+ 538.18481 233.3
[M]- 538.18591 233.3
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.