CID 87504194

Ns00005358

Structural Information

Molecular Formula
C24H20O8P2
SMILES
C1=CC=C(C=C1)OP(=O)(O)OC2=CC(=CC=C2)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C24H20O8P2/c25-33(26,28-20-11-4-1-5-12-20)29-23-17-10-18-24(19-23)32-34(27,30-21-13-6-2-7-14-21)31-22-15-8-3-9-16-22/h1-19H,(H,25,26)
InChIKey
YXCNAHOCESLROP-UHFFFAOYSA-N
Compound name
[3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.06335 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.07063 212.4
[M+Na]+ 521.05257 214.4
[M-H]- 497.05607 220.2
[M+NH4]+ 516.09717 216.6
[M+K]+ 537.02651 213.5
[M+H-H2O]+ 481.06061 195.4
[M+HCOO]- 543.06155 241.2
[M+CH3COO]- 557.07720 232.9
[M+Na-2H]- 519.03802 214.4
[M]+ 498.06280 216.2
[M]- 498.06390 216.2
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.