CID 3440475

1-(2-chlorophenyl)-3-[(4-fluorophenyl)amino]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C16H12ClFN2O2
SMILES
C1C(C(=O)N(C1=O)C2=CC=CC=C2Cl)NC3=CC=C(C=C3)F
InChI
InChI=1S/C16H12ClFN2O2/c17-12-3-1-2-4-14(12)20-15(21)9-13(16(20)22)19-11-7-5-10(18)6-8-11/h1-8,13,19H,9H2
InChIKey
GUEMONFOIMRZAP-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.05713 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06441 170.3
[M+Na]+ 341.04635 180.2
[M-H]- 317.04985 178.0
[M+NH4]+ 336.09095 185.8
[M+K]+ 357.02029 173.3
[M+H-H2O]+ 301.05439 161.3
[M+HCOO]- 363.05533 188.0
[M+CH3COO]- 377.07098 206.7
[M+Na-2H]- 339.03180 170.8
[M]+ 318.05658 169.9
[M]- 318.05768 169.9
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.