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

636
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 212.9
[M+Na]+ 475.20086 222.2
[M-H]- 451.20436 222.7
[M+NH4]+ 470.24546 223.4
[M+K]+ 491.17480 218.6
[M+H-H2O]+ 435.20890 200.7
[M+HCOO]- 497.20984 237.9
[M+CH3COO]- 511.22549 242.4
[M+Na-2H]- 473.18631 207.3
[M]+ 452.21109 222.5
[M]- 452.21219 222.5
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