CID 389884

Nsc686512

Structural Information

Molecular Formula
C34H25P3
SMILES
C1=CC=C(C=C1)P(C#CP(C2=CC=CC=C2)C3=CC=CC=C3)C#CP(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H25P3/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H
InChIKey
VMFVZCXWMPAYDX-UHFFFAOYSA-N
Compound name
bis(2-diphenylphosphanylethynyl)-phenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.1169 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.12418 210.4
[M+Na]+ 549.10612 216.9
[M-H]- 525.10962 211.6
[M+NH4]+ 544.15072 212.1
[M+K]+ 565.08006 201.5
[M+H-H2O]+ 509.11416 187.9
[M+HCOO]- 571.11510 224.1
[M+CH3COO]- 585.13075 211.2
[M+Na-2H]- 547.09157 200.1
[M]+ 526.11635 197.6
[M]- 526.11745 197.6
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.