CID 81219

1,3-bis(diphenylphosphino)propane

Structural Information

Molecular Formula
C27H26P2
SMILES
C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2
InChIKey
LVEYOSJUKRVCCF-UHFFFAOYSA-N
Compound name
3-diphenylphosphanylpropyl(diphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

51
References

31755
Patents

412.15097 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15825 208.3
[M+Na]+ 435.14019 209.0
[M-H]- 411.14369 215.8
[M+NH4]+ 430.18479 217.1
[M+K]+ 451.11413 201.9
[M+H-H2O]+ 395.14823 191.7
[M+HCOO]- 457.14917 237.1
[M+CH3COO]- 471.16482 228.1
[M+Na-2H]- 433.12564 201.9
[M]+ 412.15042 205.4
[M]- 412.15152 205.4
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