CID 11040177

Hendrickson reagent

Structural Information

Molecular Formula
C36H30OP2
SMILES
C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)O[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C36H30OP2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H/q+2
InChIKey
LYSLFJYKHZSBBZ-UHFFFAOYSA-N
Compound name
triphenyl(triphenylphosphaniumyloxy)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

540.1772 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.18448 249.9
[M+Na]+ 563.16642 247.9
[M-H]- 539.16992 261.9
[M+NH4]+ 558.21102 250.7
[M+K]+ 579.14036 230.4
[M+H-H2O]+ 523.17446 234.6
[M+HCOO]- 585.17540 272.9
[M+CH3COO]- 599.19105 235.3
[M+Na-2H]- 561.15187 251.2
[M]+ 540.17665 241.7
[M]- 540.17775 241.7
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