CID 187955

2-(3-hydroxyphenyl)isoindoline-1,3-dione

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC=C3)O
InChI
InChI=1S/C14H9NO3/c16-10-5-3-4-9(8-10)15-13(17)11-6-1-2-7-12(11)14(15)18/h1-8,16H
InChIKey
FZZOXPGVXDMPMS-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

239.05824 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 151.3
[M+Na]+ 262.04746 165.7
[M+NH4]+ 257.09206 159.5
[M+K]+ 278.02140 160.7
[M-H]- 238.05096 154.4
[M+Na-2H]- 260.03291 158.1
[M]+ 239.05769 154.2
[M]- 239.05879 154.2
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