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]+ 221.05568 144.3
[M+Na]+ 243.03762 151.5
[M-H]- 219.04112 148.9
[M+NH4]+ 238.08222 161.3
[M+K]+ 259.01156 144.3
[M+H-H2O]+ 203.04566 142.1
[M+HCOO]- 265.04660 166.9
[M+CH3COO]- 279.06225 177.5
[M+Na-2H]- 241.02307 149.2
[M]+ 220.04785 139.7
[M]- 220.04895 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