CID 175686297

3-(3-((diphenoxyphosphoryl)oxy)propoxy)propyl phenyl hydrogen phosphate

Structural Information

Molecular Formula
C24H28O9P2
SMILES
C1=CC=C(C=C1)OP(=O)(O)OCCCOCCCOP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C24H28O9P2/c25-34(26,31-22-12-4-1-5-13-22)29-20-10-18-28-19-11-21-30-35(27,32-23-14-6-2-7-15-23)33-24-16-8-3-9-17-24/h1-9,12-17H,10-11,18-21H2,(H,25,26)
InChIKey
YRCRBHKTOHTGQB-UHFFFAOYSA-N
Compound name
3-[3-[hydroxy(phenoxy)phosphoryl]oxypropoxy]propyl diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.12085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.12813 221.0
[M+Na]+ 545.11007 221.1
[M-H]- 521.11357 225.0
[M+NH4]+ 540.15467 224.8
[M+K]+ 561.08401 220.8
[M+H-H2O]+ 505.11811 204.6
[M+HCOO]- 567.11905 249.5
[M+CH3COO]- 581.13470 237.2
[M+Na-2H]- 543.09552 222.4
[M]+ 522.12030 229.3
[M]- 522.12140 229.3
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.