CID 4639808

Oxydimethylbis(triphenylphosphonium chloride)

Structural Information

Molecular Formula
C38H34OP2
SMILES
C1=CC=C(C=C1)[P+](COC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C38H34OP2/c1-7-19-33(20-8-1)40(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-39-32-41(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30H,31-32H2/q+2
InChIKey
CQEVLUYAGSEZBN-UHFFFAOYSA-N
Compound name
triphenyl(triphenylphosphaniumylmethoxymethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.2085 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.21578 258.7
[M+Na]+ 591.19772 255.7
[M-H]- 567.20122 270.2
[M+NH4]+ 586.24232 258.3
[M+K]+ 607.17166 237.9
[M+H-H2O]+ 551.20576 242.8
[M+HCOO]- 613.20670 280.9
[M+CH3COO]- 627.22235 240.5
[M+Na-2H]- 589.18317 258.9
[M]+ 568.20795 250.9
[M]- 568.20905 250.9
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.