CID 99393

Tribenzylphosphine oxide

Structural Information

Molecular Formula
C21H21OP
SMILES
C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H21OP/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey
RDLZJCXTAYHYHX-UHFFFAOYSA-N
Compound name
dibenzylphosphorylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

903
Patents

320.133 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14028 180.4
[M+Na]+ 343.12222 185.1
[M-H]- 319.12572 187.7
[M+NH4]+ 338.16682 193.9
[M+K]+ 359.09616 179.2
[M+H-H2O]+ 303.13026 168.6
[M+HCOO]- 365.13120 207.1
[M+CH3COO]- 379.14685 207.7
[M+Na-2H]- 341.10767 182.9
[M]+ 320.13245 179.9
[M]- 320.13355 179.9
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.