CID 166480

75980-60-8

Structural Information

Molecular Formula
C22H21O2P
SMILES
CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKey
VFHVQBAGLAREND-UHFFFAOYSA-N
Compound name
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

103009
Patents

348.12793 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13521 185.0
[M+Na]+ 371.11715 191.8
[M-H]- 347.12065 193.6
[M+NH4]+ 366.16175 198.2
[M+K]+ 387.09109 186.8
[M+H-H2O]+ 331.12519 173.6
[M+HCOO]- 393.12613 210.9
[M+CH3COO]- 407.14178 216.0
[M+Na-2H]- 369.10260 184.3
[M]+ 348.12738 186.4
[M]- 348.12848 186.4
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