CID 494173

Nsc209039

Structural Information

Molecular Formula
C40H34P2
SMILES
C1=CC=C(C=C1)[P+](CC#CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C40H34P2/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40/h1-18,21-32H,33-34H2/q+2
InChIKey
SUAKBWMHRRSTGW-UHFFFAOYSA-N
Compound name
triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.21356 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.22084 267.3
[M+Na]+ 599.20278 269.1
[M-H]- 575.20628 273.6
[M+NH4]+ 594.24738 266.2
[M+K]+ 615.17672 245.1
[M+H-H2O]+ 559.21082 247.1
[M+HCOO]- 621.21176 282.8
[M+CH3COO]- 635.22741 243.0
[M+Na-2H]- 597.18823 263.7
[M]+ 576.21301 253.4
[M]- 576.21411 253.4
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.