CID 57826927

3-(5-chloro-2-phenoxyphenyl)-1-methylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C17H14ClNO3
SMILES
CN1CC(=O)C(C1=O)C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3
InChI
InChI=1S/C17H14ClNO3/c1-19-10-14(20)16(17(19)21)13-9-11(18)7-8-15(13)22-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKey
LAXTYFZLKJOGDP-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-phenoxyphenyl)-1-methylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

315.06622 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.073496 170.6
[M+Na]+ 338.055438 180.8
[M-H]- 314.058944 179.7
[M+NH4]+ 333.100043 186.6
[M+K]+ 354.029378 174.9
[M+H-H2O]+ 298.063480 162.7
[M+HCOO]- 360.064421 188.2
[M+CH3COO]- 374.080071 204.1
[M+Na-2H]- 336.040886 170.7
[M]+ 315.06567142 173.6
[M]- 315.06676858 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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