CID 4359418

Nsc633341

Structural Information

Molecular Formula
C28H29P3
SMILES
C1=CC=C(C=C1)P(CCPCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H29P3/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29H,21-24H2
InChIKey
LMUFBUMCMVATHM-UHFFFAOYSA-N
Compound name
2-(2-diphenylphosphanylethylphosphanyl)ethyl-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.14822 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.15550 222.1
[M+Na]+ 481.13744 221.2
[M-H]- 457.14094 227.7
[M+NH4]+ 476.18204 229.1
[M+K]+ 497.11138 214.2
[M+H-H2O]+ 441.14548 202.6
[M+HCOO]- 503.14642 254.6
[M+CH3COO]- 517.16207 237.8
[M+Na-2H]- 479.12289 211.4
[M]+ 458.14767 219.8
[M]- 458.14877 219.8
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.