CID 75628

Tris(4-isopropylphenyl) phosphate

Structural Information

Molecular Formula
C27H33O4P
SMILES
CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)C)OC3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3
InChIKey
ANVREEJNGJMLOV-UHFFFAOYSA-N
Compound name
tris(4-propan-2-ylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1405
Patents

452.21164 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.21892 211.0
[M+Na]+ 475.20086 224.0
[M+NH4]+ 470.24546 216.9
[M+K]+ 491.17480 217.4
[M-H]- 451.20436 215.9
[M+Na-2H]- 473.18631 219.0
[M]+ 452.21109 214.3
[M]- 452.21219 214.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe