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

17
Patents

410.1647 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.171976 202.0
[M+Na]+ 433.153918 209.3
[M-H]- 409.157424 210.9
[M+NH4]+ 428.198523 213.1
[M+K]+ 449.127858 205.6
[M+H-H2O]+ 393.161960 189.6
[M+HCOO]- 455.162901 228.2
[M+CH3COO]- 469.178551 228.5
[M+Na-2H]- 431.139366 200.3
[M]+ 410.16415142 208.8
[M]- 410.16524858 208.8
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

patents stripe