CID 164512

162881-26-7

Structural Information

Molecular Formula
C26H27O3P
SMILES
CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C26H27O3P/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3
InChIKey
GUCYFKSBFREPBC-UHFFFAOYSA-N
Compound name
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

67965
Patents

418.16977 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17705 201.7
[M+Na]+ 441.15899 217.1
[M+NH4]+ 436.20359 208.0
[M+K]+ 457.13293 209.7
[M-H]- 417.16249 207.1
[M+Na-2H]- 439.14444 210.0
[M]+ 418.16922 205.6
[M]- 418.17032 205.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe