CID 98777

23582-03-8

Structural Information

Molecular Formula
C42H42P4
SMILES
C1=CC=C(C=C1)P(CCP(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C42H42P4/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/h1-30H,31-36H2
InChIKey
TVLNGWSWPKIYAO-UHFFFAOYSA-N
Compound name
tris(2-diphenylphosphanylethyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

340
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

literature stripe

Patent stripe

patents stripe