CID 3086235

86864-92-8

Structural Information

Molecular Formula
C24H27O4P
SMILES
CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=CC=C2C)C)OC3=C(C=CC=C3C)C)C
InChI
InChI=1S/C24H27O4P/c1-16-13-14-22(21(6)15-16)26-29(25,27-23-17(2)9-7-10-18(23)3)28-24-19(4)11-8-12-20(24)5/h7-15H,1-6H3
InChIKey
HXJLUDOGBZZEFW-UHFFFAOYSA-N
Compound name
(2,4-dimethylphenyl) bis(2,6-dimethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 201.4
[M+Na]+ 433.15392 209.5
[M-H]- 409.15742 210.6
[M+NH4]+ 428.19852 212.8
[M+K]+ 449.12786 206.0
[M+H-H2O]+ 393.16196 189.2
[M+HCOO]- 455.16290 227.5
[M+CH3COO]- 469.17855 229.8
[M+Na-2H]- 431.13937 199.1
[M]+ 410.16415 208.6
[M]- 410.16525 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

No patent data available for this compound.