CID 2734567

(2s,4s)-2,4-bis(diphenylphosphino)pentane

Structural Information

Molecular Formula
C29H30P2
SMILES
C[C@@H](C[C@H](C)P(C1=CC=CC=C1)C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H30P2/c1-24(30(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-25(2)31(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,24-25H,23H2,1-2H3/t24-,25-/m0/s1
InChIKey
CTYPJIUQROQJBG-DQEYMECFSA-N
Compound name
[(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

440.18228 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18956 216.9
[M+Na]+ 463.17150 215.9
[M-H]- 439.17500 224.1
[M+NH4]+ 458.21610 224.2
[M+K]+ 479.14544 209.6
[M+H-H2O]+ 423.17954 200.2
[M+HCOO]- 485.18048 243.0
[M+CH3COO]- 499.19613 235.3
[M+Na-2H]- 461.15695 207.3
[M]+ 440.18173 213.5
[M]- 440.18283 213.5
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