CID 236790

1-(3-nitrophenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C10H6N2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C=CC2=O
InChI
InChI=1S/C10H6N2O4/c13-9-4-5-10(14)11(9)7-2-1-3-8(6-7)12(15)16/h1-6H
InChIKey
CJENYVWFVWQVPS-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

131
Patents

218.03276 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04004 142.6
[M+Na]+ 241.02198 151.3
[M-H]- 217.02548 149.0
[M+NH4]+ 236.06658 160.5
[M+K]+ 256.99592 144.8
[M+H-H2O]+ 201.03002 140.2
[M+HCOO]- 263.03096 168.2
[M+CH3COO]- 277.04661 179.8
[M+Na-2H]- 239.00743 148.9
[M]+ 218.03221 141.3
[M]- 218.03331 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe