CID 90193

Nsc634006

Structural Information

Molecular Formula
C42H42P4
SMILES
C1=CC=C(C=C1)P(CCP(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CCP(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C42H42P4/c1-7-19-37(20-8-1)43(33-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)31-32-44(38-21-9-2-10-22-38)34-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30H,31-36H2
InChIKey
TXFNTLLEAYZBGV-UHFFFAOYSA-N
Compound name
2-diphenylphosphanylethyl-[2-[2-diphenylphosphanylethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

670.2237 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 671.23098 269.2
[M+Na]+ 693.21292 261.5
[M-H]- 669.21642 275.8
[M+NH4]+ 688.25752 265.4
[M+K]+ 709.18686 253.8
[M+H-H2O]+ 653.22096 243.7
[M+HCOO]- 715.22190 298.2
[M+CH3COO]- 729.23755 273.9
[M+Na-2H]- 691.19837 250.0
[M]+ 670.22315 261.6
[M]- 670.22425 261.6
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.