CID 4420452

229494-69-3

Structural Information

Molecular Formula
C52H54O2P2
SMILES
CCCCOC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCCCC)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C52H54O2P2/c1-3-5-37-53-51-39-44(42-56(48-31-19-10-20-32-48,49-33-21-11-22-34-49)50-35-23-12-24-36-50)52(54-38-6-4-2)40-43(51)41-55(45-25-13-7-14-26-45,46-27-15-8-16-28-46)47-29-17-9-18-30-47/h7-36,39-40H,3-6,37-38,41-42H2,1-2H3/q+2
InChIKey
YBWJSBOQPOHDCT-UHFFFAOYSA-N
Compound name
[2,5-dibutoxy-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

772.3599 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.36718 313.6
[M+Na]+ 795.34912 306.6
[M-H]- 771.35262 325.4
[M+NH4]+ 790.39372 304.6
[M+K]+ 811.32306 288.7
[M+H-H2O]+ 755.35716 293.2
[M+HCOO]- 817.35810 330.5
[M+CH3COO]- 831.37375 276.5
[M+Na-2H]- 793.33457 306.9
[M]+ 772.35935 307.5
[M]- 772.36045 307.5
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.