CID 346002

4-hydroxy-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=CC2=C(C(=C1)O)C(=O)NC2=O
InChI
InChI=1S/C8H5NO3/c10-5-3-1-2-4-6(5)8(12)9-7(4)11/h1-3,10H,(H,9,11,12)
InChIKey
XXYNZSATHOXXBJ-UHFFFAOYSA-N
Compound name
4-hydroxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3041
Patents

163.02695 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03423 128.9
[M+Na]+ 186.01617 139.5
[M-H]- 162.01967 130.4
[M+NH4]+ 181.06077 150.2
[M+K]+ 201.99011 135.8
[M+H-H2O]+ 146.02421 124.0
[M+HCOO]- 208.02515 149.7
[M+CH3COO]- 222.04080 171.5
[M+Na-2H]- 184.00162 134.4
[M]+ 163.02640 127.5
[M]- 163.02750 127.5
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