CID 2754312

1,6-bis(diphenylphosphino)hexane

Structural Information

Molecular Formula
C30H32P2
SMILES
C1=CC=C(C=C1)P(CCCCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H32P2/c1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2
InChIKey
GPORFKPYXATYNX-UHFFFAOYSA-N
Compound name
6-diphenylphosphanylhexyl(diphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

612
Patents

454.19794 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.20522 222.3
[M+Na]+ 477.18716 221.5
[M-H]- 453.19066 229.0
[M+NH4]+ 472.23176 229.2
[M+K]+ 493.16110 213.8
[M+H-H2O]+ 437.19520 204.9
[M+HCOO]- 499.19614 249.9
[M+CH3COO]- 513.21179 236.6
[M+Na-2H]- 475.17261 214.2
[M]+ 454.19739 220.2
[M]- 454.19849 220.2
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