CID 78789

Bis(diphenylphosphino)acetylene

Structural Information

Molecular Formula
C26H20P2
SMILES
C1=CC=C(C=C1)P(C#CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H
InChIKey
FOWZHJNBFVLJGP-UHFFFAOYSA-N
Compound name
2-diphenylphosphanylethynyl(diphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

557
Patents

394.10403 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.11131 202.6
[M+Na]+ 417.09325 218.5
[M+NH4]+ 412.13785 208.2
[M+K]+ 433.06719 204.2
[M-H]- 393.09675 203.5
[M+Na-2H]- 415.07870 211.7
[M]+ 394.10348 204.7
[M]- 394.10458 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe