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]+ 252.06552 152.8
[M+Na]+ 274.04746 162.1
[M-H]- 250.05096 161.3
[M+NH4]+ 269.09206 170.5
[M+K]+ 290.02140 161.8
[M+H-H2O]+ 234.05550 146.8
[M+HCOO]- 296.05644 175.1
[M+CH3COO]- 310.07209 165.9
[M+Na-2H]- 272.03291 156.5
[M]+ 251.05769 151.5
[M]- 251.05879 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.