CID 2783926

42473-02-9

Structural Information

Molecular Formula
C12H9NO4
SMILES
C1COC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C12H9NO4/c14-10-7-3-1-2-4-8(7)11(15)13(10)9-5-6-17-12(9)16/h1-4,9H,5-6H2
InChIKey
HPJABVAESJDAES-UHFFFAOYSA-N
Compound name
2-(2-oxooxolan-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

231.05316 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.060436 146.1
[M+Na]+ 254.042378 156.0
[M-H]- 230.045884 153.9
[M+NH4]+ 249.086983 166.1
[M+K]+ 270.016318 154.1
[M+H-H2O]+ 214.050420 140.7
[M+HCOO]- 276.051361 167.4
[M+CH3COO]- 290.067011 188.1
[M+Na-2H]- 252.027826 148.2
[M]+ 231.05261142 147.0
[M]- 231.05370858 147.0
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