CID 146390

92944-71-3

Structural Information

Molecular Formula
C17H11NO3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C(=O)C=CC3=O
InChI
InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-8-6-13(7-9-14)17(21)12-4-2-1-3-5-12/h1-11H
InChIKey
OZIZEXQRIOURIJ-UHFFFAOYSA-N
Compound name
1-(4-benzoylphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

896
Patents

277.07388 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08116 160.9
[M+Na]+ 300.06310 169.5
[M-H]- 276.06660 170.0
[M+NH4]+ 295.10770 176.8
[M+K]+ 316.03704 165.0
[M+H-H2O]+ 260.07114 152.4
[M+HCOO]- 322.07208 183.9
[M+CH3COO]- 336.08773 197.8
[M+Na-2H]- 298.04855 162.8
[M]+ 277.07333 161.0
[M]- 277.07443 161.0
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