CID 494135

(3,3-diphenyl-2-propenyl)(triphenyl)phosphorane

Structural Information

Molecular Formula
C33H28P
SMILES
C1=CC=C(C=C1)C(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C33H28P/c1-6-16-28(17-7-1)33(29-18-8-2-9-19-29)26-27-34(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-26H,27H2/q+1
InChIKey
KDDJRVWYKRVQRL-UHFFFAOYSA-N
Compound name
3,3-diphenylprop-2-enyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.19287 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.20015 225.4
[M+Na]+ 478.18209 225.8
[M-H]- 454.18559 236.7
[M+NH4]+ 473.22669 230.8
[M+K]+ 494.15603 211.5
[M+H-H2O]+ 438.19013 212.1
[M+HCOO]- 500.19107 247.1
[M+CH3COO]- 514.20672 226.7
[M+Na-2H]- 476.16754 225.9
[M]+ 455.19232 218.9
[M]- 455.19342 218.9
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.