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

16
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 202.0
[M+Na]+ 433.15392 209.3
[M-H]- 409.15742 210.9
[M+NH4]+ 428.19852 213.1
[M+K]+ 449.12786 205.6
[M+H-H2O]+ 393.16196 189.6
[M+HCOO]- 455.16290 228.2
[M+CH3COO]- 469.17855 228.5
[M+Na-2H]- 431.13937 200.3
[M]+ 410.16415 208.8
[M]- 410.16525 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