CID 298803

Benzyl diphenylphosphinate

Structural Information

Molecular Formula
C19H17O2P
SMILES
C1=CC=C(C=C1)COP(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17O2P/c20-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)21-16-17-10-4-1-5-11-17/h1-15H,16H2
InChIKey
BUBAPAVHHCZZMA-UHFFFAOYSA-N
Compound name
diphenylphosphoryloxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

442
Patents

308.09662 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10390 174.2
[M+Na]+ 331.08584 179.6
[M-H]- 307.08934 181.9
[M+NH4]+ 326.13044 188.1
[M+K]+ 347.05978 174.9
[M+H-H2O]+ 291.09388 162.6
[M+HCOO]- 353.09482 201.8
[M+CH3COO]- 367.11047 203.7
[M+Na-2H]- 329.07129 178.0
[M]+ 308.09607 174.4
[M]- 308.09717 174.4
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