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]+ 237.03061 144.4
[M+Na]+ 259.01255 154.0
[M-H]- 235.01605 149.8
[M+NH4]+ 254.05715 161.8
[M+K]+ 274.98649 147.1
[M+H-H2O]+ 219.02059 141.3
[M+HCOO]- 281.02153 168.9
[M+CH3COO]- 295.03718 183.7
[M+Na-2H]- 256.99800 149.6
[M]+ 236.02278 142.5
[M]- 236.02388 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.