CID 69930

795-43-7

Structural Information

Molecular Formula
C18H15O3P
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H15O3P/c19-14-6-10-17(11-7-14)22(21,16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13,19-20H
InChIKey
FYXPKOPFEGFWHG-UHFFFAOYSA-N
Compound name
4-[(4-hydroxyphenyl)-phenylphosphoryl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

694
Patents

310.07587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.083146 172.8
[M+Na]+ 333.065088 179.5
[M-H]- 309.068594 178.9
[M+NH4]+ 328.109693 185.9
[M+K]+ 349.039028 174.2
[M+H-H2O]+ 293.073130 162.2
[M+HCOO]- 355.074071 198.0
[M+CH3COO]- 369.089721 200.2
[M+Na-2H]- 331.050536 175.2
[M]+ 310.07532142 171.4
[M]- 310.07641858 171.4
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