CID 498718

Nsc634837

Structural Information

Molecular Formula
C42H54P4
SMILES
C1CCC(CC1)P(CCP(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5)C6CCCCC6
InChI
InChI=1S/C42H54P4/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)34-31-43(32-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-4,7-14,19-26,41-42H,5-6,15-18,27-36H2
InChIKey
QDFAOEVHZOIXPS-UHFFFAOYSA-N
Compound name
2-[bis(2-diphenylphosphanylethyl)phosphanyl]ethyl-dicyclohexylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

682.3176 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 683.32488 267.0
[M+Na]+ 705.30682 254.2
[M-H]- 681.31032 271.5
[M+NH4]+ 700.35142 262.7
[M+K]+ 721.28076 247.2
[M+H-H2O]+ 665.31486 241.5
[M+HCOO]- 727.31580 289.5
[M+CH3COO]- 741.33145 276.5
[M+Na-2H]- 703.29227 243.2
[M]+ 682.31705 252.6
[M]- 682.31815 252.6
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.