CID 11420783

528565-79-9

Structural Information

Molecular Formula
C34H36P2
SMILES
C1C[C@@H](P([C@H]1C2=CC=CC=C2)CCP3[C@H](CC[C@@H]3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C34H36P2/c1-5-13-27(14-6-1)31-21-22-32(28-15-7-2-8-16-28)35(31)25-26-36-33(29-17-9-3-10-18-29)23-24-34(36)30-19-11-4-12-20-30/h1-20,31-34H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKey
VHHAZLMVLLIMHT-YFRBGRBWSA-N
Compound name
(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylphospholan-1-yl]ethyl]-2,5-diphenylphospholane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

506.22922 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.23650 229.3
[M+Na]+ 529.21844 244.4
[M+NH4]+ 524.26304 239.1
[M+K]+ 545.19238 235.2
[M-H]- 505.22194 242.3
[M+Na-2H]- 527.20389 241.1
[M]+ 506.22867 235.4
[M]- 506.22977 235.4
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