CID 465678

Chembl441039

Structural Information

Molecular Formula
C22H17ClO3
SMILES
C1=CC=C(C=C1)CC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H17ClO3/c23-18-11-12-21(20(14-18)22(25)17-9-5-2-6-10-17)26-15-19(24)13-16-7-3-1-4-8-16/h1-12,14H,13,15H2
InChIKey
XLNQRNGTGMKKMT-UHFFFAOYSA-N
Compound name
1-(2-benzoyl-4-chlorophenoxy)-3-phenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.0866 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09388 184.8
[M+Na]+ 387.07582 191.5
[M-H]- 363.07932 193.9
[M+NH4]+ 382.12042 197.1
[M+K]+ 403.04976 185.2
[M+H-H2O]+ 347.08386 175.7
[M+HCOO]- 409.08480 202.1
[M+CH3COO]- 423.10045 214.0
[M+Na-2H]- 385.06127 186.6
[M]+ 364.08605 188.7
[M]- 364.08715 188.7
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

No patent data available for this compound.