CID 249659

(4-(4-benzoyl-phenoxy)-phenyl)-phenyl-methanone

Structural Information

Molecular Formula
C26H18O3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H18O3/c27-25(19-7-3-1-4-8-19)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)26(28)20-9-5-2-6-10-20/h1-18H
InChIKey
RFESNAMUUSDBQQ-UHFFFAOYSA-N
Compound name
[4-(4-benzoylphenoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

610
Patents

378.12558 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13286 192.1
[M+Na]+ 401.11480 197.2
[M-H]- 377.11830 204.0
[M+NH4]+ 396.15940 201.9
[M+K]+ 417.08874 191.4
[M+H-H2O]+ 361.12284 180.7
[M+HCOO]- 423.12378 213.3
[M+CH3COO]- 437.13943 201.6
[M+Na-2H]- 399.10025 194.4
[M]+ 378.12503 191.6
[M]- 378.12613 191.6
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