CID 4183961

Tris(4-hydroxyphenyl)phosphine oxide

Structural Information

Molecular Formula
C18H15O4P
SMILES
C1=CC(=CC=C1O)P(=O)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H15O4P/c19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12,19-21H
InChIKey
LMBQOLBVWODAFG-UHFFFAOYSA-N
Compound name
4-bis(4-hydroxyphenyl)phosphorylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

326.0708 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07808 176.0
[M+Na]+ 349.06002 182.8
[M-H]- 325.06352 181.1
[M+NH4]+ 344.10462 187.9
[M+K]+ 365.03396 177.7
[M+H-H2O]+ 309.06806 165.6
[M+HCOO]- 371.06900 199.8
[M+CH3COO]- 385.08465 201.4
[M+Na-2H]- 347.04547 177.5
[M]+ 326.07025 174.5
[M]- 326.07135 174.5
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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