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 176.4
[M+Na]+ 375.07272 185.7
[M-H]- 351.07622 180.4
[M+NH4]+ 370.11732 189.5
[M+K]+ 391.04666 179.4
[M+H-H2O]+ 335.08076 164.6
[M+HCOO]- 397.08170 193.6
[M+CH3COO]- 411.09735 214.0
[M+Na-2H]- 373.05817 176.1
[M]+ 352.08295 170.2
[M]- 352.08405 170.2
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.