CID 116494

Phosphoric acid, trianhydride with ethyl hydrogen phenylphosphonate

Structural Information

Molecular Formula
C24H30O10P4
SMILES
CCOP(=O)(C1=CC=CC=C1)OP(=O)(OP(=O)(C2=CC=CC=C2)OCC)OP(=O)(C3=CC=CC=C3)OCC
InChI
InChI=1S/C24H30O10P4/c1-4-29-35(25,22-16-10-7-11-17-22)32-38(28,33-36(26,30-5-2)23-18-12-8-13-19-23)34-37(27,31-6-3)24-20-14-9-15-21-24/h7-21H,4-6H2,1-3H3
InChIKey
XJXGQHKYZDZYHY-UHFFFAOYSA-N
Compound name
tris[ethoxy(phenyl)phosphoryl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.0789 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.08618 226.1
[M+Na]+ 625.06812 233.1
[M+NH4]+ 620.11272 236.4
[M+K]+ 641.04206 240.5
[M-H]- 601.07162 227.6
[M+Na-2H]- 623.05357 227.2
[M]+ 602.07835 230.6
[M]- 602.07945 230.6
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.