CID 16727999

Chembl394025

Structural Information

Molecular Formula
C23H21O7P
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)/C(=C/C(=O)P(=O)(O)O)/O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H21O7P/c24-22(14-23(25)31(26,27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-14,24H,15-16H2,(H2,26,27,28)/b22-14-
InChIKey
YFNNCSFQLAFMAO-HMAPJEAMSA-N
Compound name
[(Z)-3-[3,5-bis(phenylmethoxy)phenyl]-3-hydroxyprop-2-enoyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

440.10248 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.10976 202.7
[M+Na]+ 463.09170 205.3
[M-H]- 439.09520 206.5
[M+NH4]+ 458.13630 208.7
[M+K]+ 479.06564 201.8
[M+H-H2O]+ 423.09974 190.7
[M+HCOO]- 485.10068 223.6
[M+CH3COO]- 499.11633 221.2
[M+Na-2H]- 461.07715 201.0
[M]+ 440.10193 203.8
[M]- 440.10303 203.8
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.