CID 586529

3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C17H12F4N2O2
SMILES
C1C(C(=O)N(C1=O)C2=CC=CC=C2C(F)(F)F)NC3=CC=C(C=C3)F
InChI
InChI=1S/C17H12F4N2O2/c18-10-5-7-11(8-6-10)22-13-9-15(24)23(16(13)25)14-4-2-1-3-12(14)17(19,20)21/h1-8,13,22H,9H2
InChIKey
MHNWPJAWTNPYKZ-UHFFFAOYSA-N
Compound name
3-(4-fluoroanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0835 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09078 183.3
[M+Na]+ 375.07272 191.3
[M+NH4]+ 370.11732 186.7
[M+K]+ 391.04666 187.2
[M-H]- 351.07622 181.5
[M+Na-2H]- 373.05817 186.9
[M]+ 352.08295 183.5
[M]- 352.08405 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.