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

929
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

literature stripe

Patent stripe

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