CID 2731852

2-acetyl-5-nitroisoindoline-1,3-dione

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 145.7
[M+Na]+ 257.01688 157.5
[M+NH4]+ 252.06148 151.9
[M+K]+ 272.99082 158.0
[M-H]- 233.02038 146.4
[M+Na-2H]- 255.00233 148.4
[M]+ 234.02711 147.1
[M]- 234.02821 147.1
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.