CID 36800

Einecs 251-965-1

Structural Information

Molecular Formula
C27H25O4P
SMILES
CC(C)C1=CC(=CC(=C1)C2=CC=CC=C2)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C27H25O4P/c1-21(2)23-18-24(22-12-6-3-7-13-22)20-27(19-23)31-32(28,29-25-14-8-4-9-15-25)30-26-16-10-5-11-17-26/h3-21H,1-2H3
InChIKey
KMLCDKUGVGTGBJ-UHFFFAOYSA-N
Compound name
diphenyl (3-phenyl-5-propan-2-ylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

444.14905 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.15633 210.4
[M+Na]+ 467.13827 214.0
[M-H]- 443.14177 220.7
[M+NH4]+ 462.18287 217.9
[M+K]+ 483.11221 209.8
[M+H-H2O]+ 427.14631 195.9
[M+HCOO]- 489.14725 235.1
[M+CH3COO]- 503.16290 230.5
[M+Na-2H]- 465.12372 209.8
[M]+ 444.14850 212.7
[M]- 444.14960 212.7
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

patents stripe