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

897
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.