CID 3050262

66064-10-6

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1C(C(=O)NC1=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O4/c13-9-5-8(10(14)11-9)6-2-1-3-7(4-6)12(15)16/h1-4,8H,5H2,(H,11,13,14)
InChIKey
BWMWRGLTQLLNSF-UHFFFAOYSA-N
Compound name
3-(3-nitrophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.0484 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 144.3
[M+Na]+ 243.037618 151.5
[M-H]- 219.041124 148.9
[M+NH4]+ 238.082223 161.3
[M+K]+ 259.011558 144.3
[M+H-H2O]+ 203.045660 142.1
[M+HCOO]- 265.046601 166.9
[M+CH3COO]- 279.062251 177.5
[M+Na-2H]- 241.023066 149.2
[M]+ 220.04785142 139.7
[M]- 220.04894858 139.7
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

patents stripe