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]+ 235.03494 144.5
[M+Na]+ 257.01688 154.1
[M-H]- 233.02038 148.9
[M+NH4]+ 252.06148 163.3
[M+K]+ 272.99082 148.1
[M+H-H2O]+ 217.02492 143.5
[M+HCOO]- 279.02586 167.8
[M+CH3COO]- 293.04151 184.1
[M+Na-2H]- 255.00233 150.2
[M]+ 234.02711 145.0
[M]- 234.02821 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.