CID 93432

Di(2,4,6-trimethylphenyl) phenyl phosphate

Structural Information

Molecular Formula
C24H27O4P
SMILES
CC1=CC(=C(C(=C1)C)OP(=O)(OC2=CC=CC=C2)OC3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C24H27O4P/c1-16-12-18(3)23(19(4)13-16)27-29(25,26-22-10-8-7-9-11-22)28-24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3
InChIKey
VXHNKGRQNWABMG-UHFFFAOYSA-N
Compound name
phenyl bis(2,4,6-trimethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 201.4
[M+Na]+ 433.153918 209.5
[M-H]- 409.157424 210.6
[M+NH4]+ 428.198523 212.8
[M+K]+ 449.127858 206.0
[M+H-H2O]+ 393.161960 189.2
[M+HCOO]- 455.162901 227.5
[M+CH3COO]- 469.178551 229.8
[M+Na-2H]- 431.139366 199.1
[M]+ 410.16415142 208.6
[M]- 410.16524858 208.6
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