CID 3086232

86864-89-3

Structural Information

Molecular Formula
C22H23O4P
SMILES
CC1=CC(=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=C(C=CC=C3C)C)C
InChI
InChI=1S/C22H23O4P/c1-16-13-14-21(19(4)15-16)25-27(23,24-20-11-6-5-7-12-20)26-22-17(2)9-8-10-18(22)3/h5-15H,1-4H3
InChIKey
CMMLWWDEAQPEPF-UHFFFAOYSA-N
Compound name
(2,4-dimethylphenyl) (2,6-dimethylphenyl) phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1334 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14068 191.3
[M+Na]+ 405.12262 206.9
[M+NH4]+ 400.16722 198.4
[M+K]+ 421.09656 199.0
[M-H]- 381.12612 197.0
[M+Na-2H]- 403.10807 201.3
[M]+ 382.13285 195.4
[M]- 382.13395 195.4
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.