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 241.8
[M+Na]+ 585.21652 258.0
[M+NH4]+ 580.26112 248.1
[M+K]+ 601.19046 248.3
[M-H]- 561.22002 251.2
[M+Na-2H]- 583.20197 256.0
[M]+ 562.22675 247.3
[M]- 562.22785 247.3
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