CID 56842835

B9l35git6a

Structural Information

Molecular Formula
C20H25O6P
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OP3OCC(CO3)(CO)CO
InChI
InChI=1S/C20H25O6P/c1-19(2,15-3-7-17(23)8-4-15)16-5-9-18(10-6-16)26-27-24-13-20(11-21,12-22)14-25-27/h3-10,21-23H,11-14H2,1-2H3
InChIKey
WMGOCXMOIUWRFI-UHFFFAOYSA-N
Compound name
4-[2-[4-[[5,5-bis(hydroxymethyl)-1,3,2-dioxaphosphinan-2-yl]oxy]phenyl]propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1389 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14618 197.2
[M+Na]+ 415.12812 200.9
[M-H]- 391.13162 202.4
[M+NH4]+ 410.17272 205.6
[M+K]+ 431.10206 200.4
[M+H-H2O]+ 375.13616 186.5
[M+HCOO]- 437.13710 214.5
[M+CH3COO]- 451.15275 213.7
[M+Na-2H]- 413.11357 198.2
[M]+ 392.13835 197.5
[M]- 392.13945 197.5
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

No patent data available for this compound.