CID 93429

73179-41-6

Structural Information

Molecular Formula
C23H25O4P
SMILES
CC1=C(C(=CC=C1)C)OP(=O)(OC2=CC=CC=C2)OC3=C(C=C(C=C3C)C)C
InChI
InChI=1S/C23H25O4P/c1-16-14-19(4)23(20(5)15-16)27-28(24,25-21-12-7-6-8-13-21)26-22-17(2)10-9-11-18(22)3/h6-15H,1-5H3
InChIKey
SBWHQCISDRTDRW-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) phenyl (2,4,6-trimethylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.14905 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15633 197.3
[M+Na]+ 419.13827 205.0
[M-H]- 395.14177 206.3
[M+NH4]+ 414.18287 209.0
[M+K]+ 435.11221 201.5
[M+H-H2O]+ 379.14631 185.1
[M+HCOO]- 441.14725 223.8
[M+CH3COO]- 455.16290 225.6
[M+Na-2H]- 417.12372 196.1
[M]+ 396.14850 203.8
[M]- 396.14960 203.8
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

No patent data available for this compound.