CID 187955

59479-66-2

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

49
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 149.7
[M+Na]+ 262.04746 160.3
[M-H]- 238.05096 155.8
[M+NH4]+ 257.09206 168.4
[M+K]+ 278.02140 155.6
[M+H-H2O]+ 222.05550 142.9
[M+HCOO]- 284.05644 171.5
[M+CH3COO]- 298.07209 163.1
[M+Na-2H]- 260.03291 154.1
[M]+ 239.05769 150.1
[M]- 239.05879 150.1
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