CID 15942270

Vk-0214

Structural Information

Molecular Formula
C23H25O5P
SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)CC3=CC=CC=C3)C)OCP(=O)(O)O
InChI
InChI=1S/C23H25O5P/c1-16-10-21(28-15-29(25,26)27)11-17(2)22(16)14-19-8-9-23(24)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,24H,12,14-15H2,1-2H3,(H2,25,26,27)
InChIKey
GFJCILQBXUTOGN-UHFFFAOYSA-N
Compound name
[4-[(3-benzyl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

412.14395 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15123 201.6
[M+Na]+ 435.13317 207.5
[M-H]- 411.13667 206.4
[M+NH4]+ 430.17777 210.3
[M+K]+ 451.10711 202.5
[M+H-H2O]+ 395.14121 190.1
[M+HCOO]- 457.14215 223.7
[M+CH3COO]- 471.15780 221.0
[M+Na-2H]- 433.11862 199.4
[M]+ 412.14340 203.9
[M]- 412.14450 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe