CID 79516091

1-(2,4-difluorophenyl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C10H7F2NO2
SMILES
C1C(=O)CN(C1=O)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C10H7F2NO2/c11-6-1-2-9(8(12)3-6)13-5-7(14)4-10(13)15/h1-3H,4-5H2
InChIKey
QUWROAHWOLRTGC-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04448 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05176 138.8
[M+Na]+ 234.03370 149.4
[M-H]- 210.03720 142.5
[M+NH4]+ 229.07830 158.4
[M+K]+ 250.00764 145.9
[M+H-H2O]+ 194.04174 130.7
[M+HCOO]- 256.04268 159.9
[M+CH3COO]- 270.05833 185.6
[M+Na-2H]- 232.01915 140.6
[M]+ 211.04393 135.8
[M]- 211.04503 135.8
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.