CID 2783302

1-(4-fluoro-3-nitrophenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C10H5FN2O4
SMILES
C1=CC(=C(C=C1N2C(=O)C=CC2=O)[N+](=O)[O-])F
InChI
InChI=1S/C10H5FN2O4/c11-7-2-1-6(5-8(7)13(16)17)12-9(14)3-4-10(12)15/h1-5H
InChIKey
FPNVMFULBBEITM-UHFFFAOYSA-N
Compound name
1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.02333 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.030606 144.4
[M+Na]+ 259.012548 154.0
[M-H]- 235.016054 149.8
[M+NH4]+ 254.057153 161.8
[M+K]+ 274.986488 147.1
[M+H-H2O]+ 219.020590 141.3
[M+HCOO]- 281.021531 168.9
[M+CH3COO]- 295.037181 183.7
[M+Na-2H]- 256.997996 149.6
[M]+ 236.02278142 142.5
[M]- 236.02387858 142.5
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.