CID 97623

4583-50-0

Structural Information

Molecular Formula
C15H9NO3
SMILES
C1=CC=C(C=C1)C(=O)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H9NO3/c17-13(10-6-2-1-3-7-10)16-14(18)11-8-4-5-9-12(11)15(16)19/h1-9H
InChIKey
SDZZWFIVMZCSIB-UHFFFAOYSA-N
Compound name
2-benzoylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

251.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.065516 153.4
[M+Na]+ 274.047458 163.0
[M-H]- 250.050964 160.4
[M+NH4]+ 269.092063 171.9
[M+K]+ 290.021398 158.8
[M+H-H2O]+ 234.055500 146.0
[M+HCOO]- 296.056441 175.5
[M+CH3COO]- 310.072091 192.9
[M+Na-2H]- 272.032906 157.1
[M]+ 251.05769142 154.1
[M]- 251.05878858 154.1
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