CID 70875

1,2-dibenzoylbenzene

Structural Information

Molecular Formula
C20H14O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H14O2/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-14H
InChIKey
OJLABXSUFRIXFL-UHFFFAOYSA-N
Compound name
(2-benzoylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1140
Patents

286.09937 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10665 166.3
[M+Na]+ 309.08859 172.3
[M-H]- 285.09209 175.6
[M+NH4]+ 304.13319 180.6
[M+K]+ 325.06253 167.3
[M+H-H2O]+ 269.09663 157.2
[M+HCOO]- 331.09757 188.6
[M+CH3COO]- 345.11322 177.7
[M+Na-2H]- 307.07404 170.3
[M]+ 286.09882 165.1
[M]- 286.09992 165.1
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