CID 3086238

86864-95-1

Structural Information

Molecular Formula
C26H31O4P
SMILES
CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2C)C)C)OC3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C26H31O4P/c1-16-9-10-24(19(4)11-16)28-31(27,29-25-20(5)12-17(2)13-21(25)6)30-26-22(7)14-18(3)15-23(26)8/h9-15H,1-8H3
InChIKey
RBYUVXNRQIGHLL-UHFFFAOYSA-N
Compound name
(2,4-dimethylphenyl) bis(2,4,6-trimethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

438.19598 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20326 209.1
[M+Na]+ 461.18520 218.1
[M-H]- 437.18870 218.8
[M+NH4]+ 456.22980 220.0
[M+K]+ 477.15914 214.5
[M+H-H2O]+ 421.19324 197.0
[M+HCOO]- 483.19418 234.6
[M+CH3COO]- 497.20983 238.2
[M+Na-2H]- 459.17065 204.7
[M]+ 438.19543 218.0
[M]- 438.19653 218.0
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