CID 16212352

(s)-(+)-1-[(r)-2-(dicyclohexylphosphino)ferrocenyl]ethyldiphenylphosphine

Structural Information

Molecular Formula
C31H39P2
SMILES
C[C@@H]([C]1C=CC=C1P(C2CCCCC2)C3CCCCC3)P(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H39P2/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29/h2-3,6-9,14-18,23-25,28-29H,4-5,10-13,19-22H2,1H3/t25-/m0/s1
InChIKey
CEZWURVNWRUWOG-VWLOTQADSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.2527 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.25998 221.1
[M+Na]+ 496.24192 215.3
[M-H]- 472.24542 229.5
[M+NH4]+ 491.28652 228.2
[M+K]+ 512.21586 209.2
[M+H-H2O]+ 456.24996 204.2
[M+HCOO]- 518.25090 241.3
[M+CH3COO]- 532.26655 239.2
[M+Na-2H]- 494.22737 204.7
[M]+ 473.25215 209.0
[M]- 473.25325 209.0
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.