CID 3020018

Tris(4-ethyl-o-tolyl) phosphate

Structural Information

Molecular Formula
C27H33O4P
SMILES
CCC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)CC)C)OC3=C(C=C(C=C3)CC)C)C
InChI
InChI=1S/C27H33O4P/c1-7-22-10-13-25(19(4)16-22)29-32(28,30-26-14-11-23(8-2)17-20(26)5)31-27-15-12-24(9-3)18-21(27)6/h10-18H,7-9H2,1-6H3
InChIKey
YDQQYNDAEWDGSA-UHFFFAOYSA-N
Compound name
tris(4-ethyl-2-methylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.21164 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.21892 215.6
[M+Na]+ 475.20086 222.3
[M-H]- 451.20436 224.2
[M+NH4]+ 470.24546 225.2
[M+K]+ 491.17480 218.2
[M+H-H2O]+ 435.20890 202.7
[M+HCOO]- 497.20984 240.6
[M+CH3COO]- 511.22549 238.5
[M+Na-2H]- 473.18631 211.6
[M]+ 452.21109 223.8
[M]- 452.21219 223.8
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

No patent data available for this compound.