CID 56593253

Schembl2876278

Structural Information

Molecular Formula
C20H23O8P
SMILES
CCOP(=O)(OCC)OCC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2OC(=O)C
InChI
InChI=1S/C20H23O8P/c1-4-24-29(23,25-5-2)26-14-16-9-8-10-17(13-16)28-20(22)18-11-6-7-12-19(18)27-15(3)21/h6-13H,4-5,14H2,1-3H3
InChIKey
MIOWDMDSHGIZNU-UHFFFAOYSA-N
Compound name
[3-(diethoxyphosphoryloxymethyl)phenyl] 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

422.11307 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.12035 196.0
[M+Na]+ 445.10229 200.5
[M-H]- 421.10579 201.1
[M+NH4]+ 440.14689 205.8
[M+K]+ 461.07623 200.7
[M+H-H2O]+ 405.11033 184.5
[M+HCOO]- 467.11127 221.8
[M+CH3COO]- 481.12692 224.1
[M+Na-2H]- 443.08774 195.4
[M]+ 422.11252 206.3
[M]- 422.11362 206.3
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