CID 494237

(3-methyl-2-butenyl)(6-((3-methyl-2-butenyl)(diphenyl)phosphoranyl)hexyl)diphenylphosphorane

Structural Information

Molecular Formula
C40H50P2
SMILES
CC(=CC[P+](CCCCCC[P+](CC=C(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C40H50P2/c1-35(2)29-33-41(37-21-11-7-12-22-37,38-23-13-8-14-24-38)31-19-5-6-20-32-42(34-30-36(3)4,39-25-15-9-16-26-39)40-27-17-10-18-28-40/h7-18,21-30H,5-6,19-20,31-34H2,1-4H3/q+2
InChIKey
XORIGDZTECZZNH-UHFFFAOYSA-N
Compound name
3-methylbut-2-enyl-[6-[3-methylbut-2-enyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.33875 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.34603 273.5
[M+Na]+ 615.32797 269.0
[M-H]- 591.33147 279.5
[M+NH4]+ 610.37257 274.3
[M+K]+ 631.30191 249.4
[M+H-H2O]+ 575.33601 260.2
[M+HCOO]- 637.33695 293.5
[M+CH3COO]- 651.35260 249.3
[M+Na-2H]- 613.31342 268.0
[M]+ 592.33820 269.8
[M]- 592.33930 269.8
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.