CID 16131439

Pentaerythritol, tetrakis(diphenylphosphite)

Structural Information

Molecular Formula
C53H48O12P4
SMILES
C1=CC=C(C=C1)OP(OCC(COP(OC2=CC=CC=C2)OC3=CC=CC=C3)(COP(OC4=CC=CC=C4)OC5=CC=CC=C5)COP(OC6=CC=CC=C6)OC7=CC=CC=C7)OC8=CC=CC=C8
InChI
InChI=1S/C53H48O12P4/c1-9-25-45(26-10-1)58-66(59-46-27-11-2-12-28-46)54-41-53(42-55-67(60-47-29-13-3-14-30-47)61-48-31-15-4-16-32-48,43-56-68(62-49-33-17-5-18-34-49)63-50-35-19-6-20-36-50)44-57-69(64-51-37-21-7-22-38-51)65-52-39-23-8-24-40-52/h1-40H,41-44H2
InChIKey
OZSLYIGLJWDEPZ-UHFFFAOYSA-N
Compound name
[3-diphenoxyphosphanyloxy-2,2-bis(diphenoxyphosphanyloxymethyl)propyl] diphenyl phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1000.2096 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1001.2169 276.6
[M+Na]+ 1023.1988 260.0
[M-H]- 999.20232 286.0
[M+NH4]+ 1018.2434 257.5
[M+K]+ 1039.1728 267.6
[M+H-H2O]+ 983.20686 246.9
[M+HCOO]- 1045.2078 300.3
[M+CH3COO]- 1059.2235 309.0
[M+Na-2H]- 1021.1843 267.8
[M]+ 1000.2091 274.4
[M]- 1000.2101 274.4
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.