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 234.7
[M+Na]+ 625.06812 233.9
[M-H]- 601.07162 200.5
[M+NH4]+ 620.11272 211.5
[M+K]+ 641.04206 236.5
[M+H-H2O]+ 585.07616 214.4
[M+HCOO]- 647.07710 235.2
[M+CH3COO]- 661.09275 254.0
[M+Na-2H]- 623.05357 238.5
[M]+ 602.07835 243.7
[M]- 602.07945 243.7
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.