CID 18097

2973-15-1

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

373
Patents

218.03276 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.