CID 3034376

Bis(cumylphenyl)phenyl phosphate

Structural Information

Molecular Formula
C36H35O4P
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=CC=C2OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4C(C)(C)C5=CC=CC=C5
InChI
InChI=1S/C36H35O4P/c1-35(2,28-18-8-5-9-19-28)31-24-14-16-26-33(31)39-41(37,38-30-22-12-7-13-23-30)40-34-27-17-15-25-32(34)36(3,4)29-20-10-6-11-21-29/h5-27H,1-4H3
InChIKey
JSTUKMRYYAHONK-UHFFFAOYSA-N
Compound name
phenyl bis[2-(2-phenylpropan-2-yl)phenyl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

562.2273 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.23458 243.3
[M+Na]+ 585.21652 244.5
[M-H]- 561.22002 255.3
[M+NH4]+ 580.26112 245.1
[M+K]+ 601.19046 239.8
[M+H-H2O]+ 545.22456 226.6
[M+HCOO]- 607.22550 262.8
[M+CH3COO]- 621.24115 252.2
[M+Na-2H]- 583.20197 243.8
[M]+ 562.22675 244.2
[M]- 562.22785 244.2
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

patents stripe