CID 205571

2-phthalimidotropone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 152.8
[M+Na]+ 274.047458 162.1
[M-H]- 250.050964 161.3
[M+NH4]+ 269.092063 170.5
[M+K]+ 290.021398 161.8
[M+H-H2O]+ 234.055500 146.8
[M+HCOO]- 296.056441 175.1
[M+CH3COO]- 310.072091 165.9
[M+Na-2H]- 272.032906 156.5
[M]+ 251.05769142 151.5
[M]- 251.05878858 151.5
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.