CID 57826927

1162120-35-5

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: 13
Patents: 315.06622 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	316.07350	170.3
[M+Na]+	338.05544	185.9
[M+NH4]+	333.10004	178.5
[M+K]+	354.02938	179.5
[M-H]-	314.05894	175.4
[M+Na-2H]-	336.04089	178.6
[M]+	315.06567	174.3
[M]-	315.06677	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe