CID 26055

5-hydroxy-2,4,6-triphenyl-1,3,5-dioxaphosphorinane 5-oxide

Structural Information

Molecular Formula
C21H19O4P
SMILES
C1=CC=C(C=C1)C2OC(P(=O)(C(O2)C3=CC=CC=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C21H19O4P/c22-26(23)20(17-12-6-2-7-13-17)24-19(16-10-4-1-5-11-16)25-21(26)18-14-8-3-9-15-18/h1-15,19-21H,(H,22,23)
InChIKey
VXTLIEBHUAJBHQ-UHFFFAOYSA-N
Compound name
5-hydroxy-2,4,6-triphenyl-1,3,5lambda5-dioxaphosphinane 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10208 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10936 189.4
[M+Na]+ 389.09130 195.2
[M-H]- 365.09480 200.5
[M+NH4]+ 384.13590 199.6
[M+K]+ 405.06524 193.0
[M+H-H2O]+ 349.09934 176.6
[M+HCOO]- 411.10028 211.8
[M+CH3COO]- 425.11593 199.1
[M+Na-2H]- 387.07675 190.3
[M]+ 366.10153 187.4
[M]- 366.10263 187.4
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

No patent data available for this compound.