CID 82124

1,4-bis(diphenylphosphino)butane

Structural Information

Molecular Formula
C28H28P2
SMILES
C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
InChIKey
BCJVBDBJSMFBRW-UHFFFAOYSA-N
Compound name
4-diphenylphosphanylbutyl(diphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

16506
Patents

426.16663 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17391 210.4
[M+Na]+ 449.15585 226.6
[M+NH4]+ 444.20045 219.5
[M+K]+ 465.12979 214.4
[M-H]- 425.15935 220.3
[M+Na-2H]- 447.14130 223.5
[M]+ 426.16608 215.8
[M]- 426.16718 215.8
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