CID 494053

Bis(2-(triphenylphosphoranyl)ethyl) ether

Structural Information

Molecular Formula
C40H38OP2
SMILES
C1=CC=C(C=C1)[P+](CCOCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C40H38OP2/c1-7-19-35(20-8-1)42(36-21-9-2-10-22-36,37-23-11-3-12-24-37)33-31-41-32-34-43(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30H,31-34H2/q+2
InChIKey
NJBGGFGJVQAWEK-UHFFFAOYSA-N
Compound name
triphenyl-[2-(2-triphenylphosphaniumylethoxy)ethyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

596.2398 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.24708 267.4
[M+Na]+ 619.22902 263.4
[M-H]- 595.23252 278.3
[M+NH4]+ 614.27362 265.8
[M+K]+ 635.20296 245.3
[M+H-H2O]+ 579.23706 251.0
[M+HCOO]- 641.23800 288.8
[M+CH3COO]- 655.25365 245.7
[M+Na-2H]- 617.21447 266.5
[M]+ 596.23925 260.0
[M]- 596.24035 260.0
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

patents stripe