CID 91864

Tri(2,4,6-trimethylphenyl) phosphate

Structural Information

Molecular Formula
C27H33O4P
SMILES
CC1=CC(=C(C(=C1)C)OP(=O)(OC2=C(C=C(C=C2C)C)C)OC3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C27H33O4P/c1-16-10-19(4)25(20(5)11-16)29-32(28,30-26-21(6)12-17(2)13-22(26)7)31-27-23(8)14-18(3)15-24(27)9/h10-15H,1-9H3
InChIKey
CKXVSWMYIMDMPY-UHFFFAOYSA-N
Compound name
tris(2,4,6-trimethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

608
Patents

452.21164 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.21892 213.3
[M+Na]+ 475.20086 229.7
[M+NH4]+ 470.24546 219.6
[M+K]+ 491.17480 221.6
[M-H]- 451.20436 219.2
[M+Na-2H]- 473.18631 220.9
[M]+ 452.21109 217.7
[M]- 452.21219 217.7
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