CID 13702779

Dtxsid70951914

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

C1[C@@H](C(=O)N(C1=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C10H8ClNO2/c11-8-6-9(13)12(10(8)14)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1

InChIKey

NITPIKUGPTUBJE-QMMMGPOBSA-N

Compound name

(3S)-3-chloro-1-phenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.02435 Da
Monoisotopic Mass: 0.9
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]+	210.031626	141.5
[M+Na]+	232.013568	151.8
[M-H]-	208.017074	147.3
[M+NH4]+	227.058173	161.8
[M+K]+	247.987508	147.3
[M+H-H2O]+	192.021610	135.4
[M+HCOO]-	254.022551	160.0
[M+CH3COO]-	268.038201	182.8
[M+Na-2H]-	229.999016	144.5
[M]+	209.02380142	142.1
[M]-	209.02489858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.