CID 246518

4-ethyl-3',3'',5',5''-tetramethyltriphenyl phosphate

Structural Information

Molecular Formula
C24H27O4P
SMILES
CCC1=CC=C(C=C1)OP(=O)(OC2=CC(=CC(=C2)C)C)OC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C24H27O4P/c1-6-21-7-9-22(10-8-21)26-29(25,27-23-13-17(2)11-18(3)14-23)28-24-15-19(4)12-20(5)16-24/h7-16H,6H2,1-5H3
InChIKey
UVEZKBHSZJILKL-UHFFFAOYSA-N
Compound name
bis(3,5-dimethylphenyl) (4-ethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

410.1647 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17198 200.1
[M+Na]+ 433.15392 215.7
[M+NH4]+ 428.19852 206.9
[M+K]+ 449.12786 207.4
[M-H]- 409.15742 205.8
[M+Na-2H]- 431.13937 209.3
[M]+ 410.16415 204.2
[M]- 410.16525 204.2
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