CID 71300682

104017-31-4

Structural Information

Molecular Formula
C38H34NP2
SMILES
C1=CC=C(C=C1)CN=P(C2=CC=CC=C2)(C3=CC=CC=C3)[P+](CC4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C38H34NP2/c1-7-19-33(20-8-1)31-39-41(37-27-15-5-16-28-37,38-29-17-6-18-30-38)40(35-23-11-3-12-24-35,36-25-13-4-14-26-36)32-34-21-9-2-10-22-34/h1-30H,31-32H2/q+1
InChIKey
SHBZZSPZIDQXHK-UHFFFAOYSA-N
Compound name
benzyl-[benzylimino(diphenyl)-lambda5-phosphanyl]-diphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

566.2167 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.22398 250.0
[M+Na]+ 589.20592 247.8
[M-H]- 565.20942 262.4
[M+NH4]+ 584.25052 250.5
[M+K]+ 605.17986 234.2
[M+H-H2O]+ 549.21396 231.6
[M+HCOO]- 611.21490 275.7
[M+CH3COO]- 625.23055 249.7
[M+Na-2H]- 587.19137 249.1
[M]+ 566.21615 242.4
[M]- 566.21725 242.4
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.