CID 2731852

60283-87-6

Structural Information

Molecular Formula
C10H6N2O5
SMILES
CC(=O)N1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H6N2O5/c1-5(13)11-9(14)7-3-2-6(12(16)17)4-8(7)10(11)15/h2-4H,1H3
InChIKey
BDARQNMFLZLTSL-UHFFFAOYSA-N
Compound name
2-acetyl-5-nitroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02766 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.034936 144.5
[M+Na]+ 257.016878 154.1
[M-H]- 233.020384 148.9
[M+NH4]+ 252.061483 163.3
[M+K]+ 272.990818 148.1
[M+H-H2O]+ 217.024920 143.5
[M+HCOO]- 279.025861 167.8
[M+CH3COO]- 293.041511 184.1
[M+Na-2H]- 255.002326 150.2
[M]+ 234.02711142 145.0
[M]- 234.02820858 145.0
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.